1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

C195H399N31O5 — CID 158830626

IUPAC1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CC1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.3C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;3*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;3*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3
InChIKeyIWZNZKYGOQXOMU-UHFFFAOYSA-N
MW3258.55 g/mol
LogP32.68
Rot. Bonds9

About 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine

1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158830626) has the molecular formula C195H399N31O5 and a molecular weight of 3258.55 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
PubChem CID158830626
Molecular FormulaC195H399N31O5
Molecular Weight3258.55 g/mol
Exact Mass3256.19
IUPAC Name1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)(C)N1CC1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C14H29N3.3C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;3*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;3*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3
InChIKeyIWZNZKYGOQXOMU-UHFFFAOYSA-N
XLogP32.68
TPSA212.45 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds9
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003258.55
LogP ≤ 532.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol
CID 158504705
2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2S)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2S)-2-ethyl-4-propan-2-ylmorpholine;2-ethyl-4-propan-2-ylmorpholine;3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;methane;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 158761214
4-Tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
CID 160241297
1-cyclohexyl-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;4-(1-propan-2-ylpiperidin-4-yl)morpholine
CID 161120948
bis(N-tert-butylpyrrolidin-3-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-[(2-methylpropan-2-yl)oxy]piperidine
CID 161344762

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (CID 158830626) is 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is CC(C)(C)N1CC1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(N2CCCCC2=O)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is IWZNZKYGOQXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.3C14H26N2O.3C14H28N2.C13H26N2.C11H24N2.2C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N.C6H13N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;3*1-14(2,3)15-10-7-12(8-11-15)16-9-5-4-6-13(16)17;3*1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8;1-6(2,3)7-4-5-7/h13H,5-12H2,1-4H3;3*12H,4-11H2,1-3H3;3*13H,4-12H2,1-3H3;12H,4-11H2,1-3H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;8H,4-7,10H2,1-3H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;4-5H2,1-3H3.
What are the key properties of 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine?
1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 3258.55 g/mol, XLogP of 32.68, 9 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butylaziridine;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;tris(1-tert-butyl-4-piperidin-1-ylpiperidine);tris(1-(1-tert-butylpiperidin-4-yl)piperidin-2-one);1-tert-butylpyrrolidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 158830626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).