tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane

C147H222F2N10O4 — CID 157239923

IUPACtert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane
SMILESCC.CC.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1
InChIInChI=1S/C16H25N.C16H18O.C15H24N2.2C15H23N.C14H21FN2.C14H20FNO.2C14H21NO.C10H14.2C2H6/c1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-10(2,3)9-7-5-4-6-8-9;2*1-2/h5-6,11,13,17H,7-10H2,1-4H3;4-12H,1-3H3;5-8H,9-12H2,1-4H3;2*4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-8H,1-3H3;2*1-2H3
InChIKeyAVBYWYOLRABRGR-UHFFFAOYSA-N
MW2231.45 g/mol
LogP34.34
Rot. Bonds10

About tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane

tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane (PubChem CID 157239923) has the molecular formula C147H222F2N10O4 and a molecular weight of 2231.45 g/mol. Its IUPAC name is tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane.

Molecular Properties

Compound Nametert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane
PubChem CID157239923
Molecular FormulaC147H222F2N10O4
Molecular Weight2231.45 g/mol
Exact Mass2229.74
IUPAC Nametert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane
SMILESCC.CC.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1
InChIInChI=1S/C16H25N.C16H18O.C15H24N2.2C15H23N.C14H21FN2.C14H20FNO.2C14H21NO.C10H14.2C2H6/c1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-10(2,3)9-7-5-4-6-8-9;2*1-2/h5-6,11,13,17H,7-10H2,1-4H3;4-12H,1-3H3;5-8H,9-12H2,1-4H3;2*4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-8H,1-3H3;2*1-2H3
InChIKeyAVBYWYOLRABRGR-UHFFFAOYSA-N
XLogP34.34
TPSA104.48 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002231.45
LogP ≤ 534.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane with MolForge

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Related Compounds

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
CID 157125331
CID 157336195
CID 157336195
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 157994661
4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;3-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propane-1,3-dione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butan-1-one;3-[4-(4-methylphenyl)piperidin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 158531766
3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 158690947
1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-3-propan-2-ylbenzene;1-methyl-3-(trifluoromethoxy)benzene;bis(1-methyl-3-(trifluoromethyl)benzene);4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;N,N,3-trimethyl-5-(trifluoromethyl)aniline
CID 158789453
2,7-Bis(3,5-difluoro-2-methyl-4-phenylmethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)phenazine;2,7-bis(4-methoxy-2,5-dimethylphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis[4-methoxy-2-(trifluoromethyl)phenyl]-5,10-bis(2-methylpropyl)phenazine;2-(4-methoxy-2-methylphenyl)-7-(4-methoxynaphthalen-1-yl)-5,10-dimethylphenazine;2-(4-methoxy-2-propan-2-ylphenyl)-7-(2-methyl-4-phenoxyphenyl)-5,10-di(propan-2-yl)phenazine
CID 159007202
5,10-Bis(2-methylpropyl)-2,7-bis(4-phenylmethoxyphenyl)phenazine;5,10-di(propan-2-yl)-2,7-bis(4-propan-2-yloxyphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-(4-methylphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-[4-(trifluoromethoxy)phenyl]phenazine
CID 159337541
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159508872
1-[4-(2,2-Dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[[4-(2,2-dimethylpropyl)phenyl]methyl]-1-methylpiperidine;4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 159929507
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 160000721
N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine;1-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-4-methylpiperazine;N'-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine;1-[2-methoxy-3-methyl-5-(trifluoromethyl)phenyl]-4-methylpiperazine;1-methyl-4-[1-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-yl]piperazine
CID 160266240

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane?
The IUPAC name of tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane (CID 157239923) is tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane.
What is the SMILES notation for tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane?
The canonical SMILES for tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane is CC.CC.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)cc1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(N2CCOCC2)c1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(Oc2ccccc2)cc1.CC(C)(C)c1cccc(N2CCOCC2)c1.CC(C)(C)c1ccccc1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.Cc1cc(C(C)(C)C)ccc1C1CCNCC1.
What is the InChIKey of tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane?
The InChIKey is AVBYWYOLRABRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C16H18O.C15H24N2.2C15H23N.C14H21FN2.C14H20FNO.2C14H21NO.C10H14.2C2H6/c1-12-11-14(16(2,3)4)5-6-15(12)13-7-9-17-10-8-13;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;2*1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)11-4-5-12(15)13(10-11)16-6-8-17-9-7-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-14(2,3)12-5-4-6-13(11-12)15-7-9-16-10-8-15;1-10(2,3)9-7-5-4-6-8-9;2*1-2/h5-6,11,13,17H,7-10H2,1-4H3;4-12H,1-3H3;5-8H,9-12H2,1-4H3;2*4-7,13,16H,8-11H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-8H,1-3H3;2*1-2H3.
What are the key properties of tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane?
tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane has a molecular weight of 2231.45 g/mol, XLogP of 34.34, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;4-(4-tert-butyl-2-methylphenyl)piperidine;1-tert-butyl-4-phenoxybenzene;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(3-tert-butylphenyl)morpholine;4-(4-tert-butylphenyl)morpholine;bis(4-(4-tert-butylphenyl)piperidine);ethane is sourced from PubChem (CID 157239923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).