1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine

C115H165FN10O3 — CID 159615694

IUPAC1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine
SMILESC1CCNCC1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N.C12H17NO.2C12H17N.C12H16.C11H14FNO.2C11H15N.C9H10.C7H14N2O.C5H11N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-7(10)9-5-2-3-8-4-6-9;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-12H2;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;2*1,3-4,7-8H,2,5-6,9-10H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;6H,1-5H2
InChIKeyMNGGKSFOEPMIFH-UHFFFAOYSA-N
MW1754.65 g/mol
LogP23.93
Rot. Bonds15

About 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine

1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine (PubChem CID 159615694) has the molecular formula C115H165FN10O3 and a molecular weight of 1754.65 g/mol. Its IUPAC name is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine.

Molecular Properties

Compound Name1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine
PubChem CID159615694
Molecular FormulaC115H165FN10O3
Molecular Weight1754.65 g/mol
Exact Mass1753.31
IUPAC Name1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine
SMILESC1CCNCC1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N.C12H17NO.2C12H17N.C12H16.C11H14FNO.2C11H15N.C9H10.C7H14N2O.C5H11N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-7(10)9-5-2-3-8-4-6-9;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-12H2;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;2*1,3-4,7-8H,2,5-6,9-10H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;6H,1-5H2
InChIKeyMNGGKSFOEPMIFH-UHFFFAOYSA-N
XLogP23.93
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.65
LogP ≤ 523.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine with MolForge

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Related Compounds

1-[4-(3,4-difluoroanilino)piperidin-1-yl]-2-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone;1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone
CID 157902923
4-Benzylmorpholine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1-benzofuran;4-(3-fluorophenoxy)piperidine;4-(phenoxymethyl)morpholine;4-(2-phenylethyl)morpholine;4-phenylmorpholine;1-phenylpiperidine;thiomorpholine
CID 159828578
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;bis(1-benzylpiperidine);4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine
CID 159978913
CID 160722807
CID 160722807

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine?
The IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine (CID 159615694) is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine.
What is the SMILES notation for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine?
The canonical SMILES for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine is C1CCNCC1.CC(=O)N1CCCNCC1.Fc1cccc(OC2CCNCC2)c1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2.
What is the InChIKey of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine?
The InChIKey is MNGGKSFOEPMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.2C12H17N.C12H16.C11H14FNO.2C11H15N.C9H10.C7H14N2O.C5H11N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-3-7-12(8-4-1)14-11-13-9-5-2-6-10-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-7(10)9-5-2-3-8-4-6-9;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-12H2;1,3-4,7-8H,2,5-6,9-11H2;1,3-4,7-8H,2,5-6,9-11H2;1-5,12-13H,6-10H2;1,3-4,7-8,12H,2,5-6,9-10H2;1-3,8,10,13H,4-7H2;2*1,3-4,7-8H,2,5-6,9-10H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;6H,1-5H2.
What are the key properties of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine?
1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine has a molecular weight of 1754.65 g/mol, XLogP of 23.93, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine is sourced from PubChem (CID 159615694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).