1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)

C165H251ClFN19O6S — CID 161405501

IUPAC1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)
SMILESC#CC1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.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.C12H15NO.2C12H17N.C12H16.C11H15ClN2.C11H14FNO.2C11H15N.C9H10.C7H14N2O.2C7H16N2.C7H11N.C6H13NO2S.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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;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;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;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;2*1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-10(8,9)6-2-4-7-5-3-6;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;1-3,6-7,11H,4-5,8-9H2,(H,13,14);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;6-8,13H,2-5H2,1H3;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;2*7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;6-7H,2-5H2,1H3;6H,1-5H2
InChIKeyVUUCKTUMBPDVRR-UHFFFAOYSA-N
MW2683.47 g/mol
LogP29.35
Rot. Bonds21

About 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)

1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) (PubChem CID 161405501) has the molecular formula C165H251ClFN19O6S and a molecular weight of 2683.47 g/mol. Its IUPAC name is 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine).

Molecular Properties

Compound Name1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)
PubChem CID161405501
Molecular FormulaC165H251ClFN19O6S
Molecular Weight2683.47 g/mol
Exact Mass2680.93
IUPAC Name1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)
SMILESC#CC1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.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.C12H15NO.2C12H17N.C12H16.C11H15ClN2.C11H14FNO.2C11H15N.C9H10.C7H14N2O.2C7H16N2.C7H11N.C6H13NO2S.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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;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;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;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;2*1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-10(8,9)6-2-4-7-5-3-6;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;1-3,6-7,11H,4-5,8-9H2,(H,13,14);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;6-8,13H,2-5H2,1H3;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;2*7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;6-7H,2-5H2,1H3;6H,1-5H2
InChIKeyVUUCKTUMBPDVRR-UHFFFAOYSA-N
XLogP29.35
TPSA236.20 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.47
LogP ≤ 529.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)?
The IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) (CID 161405501) is 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine).
What is the SMILES notation for 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)?
The canonical SMILES for 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) is C#CC1CCNCC1.C1CCNCC1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Cc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.O=C(NC1CCCC1)c1ccccc1.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;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)?
The InChIKey is VUUCKTUMBPDVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H15NO.2C12H17N.C12H16.C11H15ClN2.C11H14FNO.2C11H15N.C9H10.C7H14N2O.2C7H16N2.C7H11N.C6H13NO2S.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;14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11;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;1-9-6-10(12)8-11(7-9)14-4-2-13-3-5-14;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;2*1-7(2)9-5-3-8-4-6-9;1-2-7-3-5-8-6-4-7;1-10(8,9)6-2-4-7-5-3-6;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;1-3,6-7,11H,4-5,8-9H2,(H,13,14);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;6-8,13H,2-5H2,1H3;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;2*7-8H,3-6H2,1-2H3;1,7-8H,3-6H2;6-7H,2-5H2,1H3;6H,1-5H2.
What are the key properties of 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine)?
1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) has a molecular weight of 2683.47 g/mol, XLogP of 29.35, 21 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine;4-benzylpiperidine;1-(3-chloro-5-methylphenyl)piperazine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;2,3-dihydro-1H-indene;4-ethynylpiperidine;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);piperidine;bis(1-propan-2-ylpiperazine) is sourced from PubChem (CID 161405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).