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

C166H254Cl2FN21O7S2 — CID 160604398

IUPAC1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine
SMILESC1CCNCC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.N#CC1CCNCC1.O=C(NC1CCCC1)c1ccccc1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N.C12H17NO.C12H15NO.2C12H17N.C12H16.C11H14FNO.C11H15N.C10H12Cl2N2.C10H13NO.C9H10.C7H14N2O.2C7H16N2.C6H10N2.C6H13NO2S.C5H11N.C4H9NS/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;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;1-2-4-10(5-3-1)11-6-8-12-9-7-11;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;7-5-6-1-3-8-4-2-6;1-10(8,9)6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-3-6-4-2-5-1/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;1-3,8,10,13H,4-7H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-5H,6-9H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;2*7-8H,3-6H2,1-2H3;6,8H,1-4H2;6-7H,2-5H2,1H3;6H,1-5H2;5H,1-4H2
InChIKeyRERNRNBSEJMNDJ-UHFFFAOYSA-N
MW2810.04 g/mol
LogP28.76
Rot. Bonds21

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

1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine (PubChem CID 160604398) has the molecular formula C166H254Cl2FN21O7S2 and a molecular weight of 2810.04 g/mol. Its IUPAC name is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine.

Molecular Properties

Compound Name1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine
PubChem CID160604398
Molecular FormulaC166H254Cl2FN21O7S2
Molecular Weight2810.04 g/mol
Exact Mass2806.90
IUPAC Name1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine
SMILESC1CCNCC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.N#CC1CCNCC1.O=C(NC1CCCC1)c1ccccc1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2
InChIInChI=1S/C13H19N.C12H17NO.C12H15NO.2C12H17N.C12H16.C11H14FNO.C11H15N.C10H12Cl2N2.C10H13NO.C9H10.C7H14N2O.2C7H16N2.C6H10N2.C6H13NO2S.C5H11N.C4H9NS/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;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;1-2-4-10(5-3-1)11-6-8-12-9-7-11;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;7-5-6-1-3-8-4-2-6;1-10(8,9)6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-3-6-4-2-5-1/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;1-3,8,10,13H,4-7H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-5H,6-9H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;2*7-8H,3-6H2,1-2H3;6,8H,1-4H2;6-7H,2-5H2,1H3;6H,1-5H2;5H,1-4H2
InChIKeyRERNRNBSEJMNDJ-UHFFFAOYSA-N
XLogP28.76
TPSA281.25 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.04
LogP ≤ 528.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine?
The IUPAC name of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine (CID 160604398) is 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine.
What is the SMILES notation for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine?
The canonical SMILES for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine is C1CCNCC1.C1CSCCN1.CC(=O)N1CCCNCC1.CC(C)N1CCNCC1.CC(C)N1CCNCC1.CS(=O)(=O)C1CCNCC1.Clc1cc(Cl)cc(N2CCNCC2)c1.Fc1cccc(OC2CCNCC2)c1.N#CC1CCNCC1.O=C(NC1CCCC1)c1ccccc1.c1ccc(C2CCCCC2)cc1.c1ccc(CC2CCNCC2)cc1.c1ccc(CCN2CCCCC2)cc1.c1ccc(CN2CCCCC2)cc1.c1ccc(N2CCCCC2)cc1.c1ccc(N2CCOCC2)cc1.c1ccc(OCN2CCCCC2)cc1.c1ccc2c(c1)CCC2.
What is the InChIKey of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine?
The InChIKey is RERNRNBSEJMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H15NO.2C12H17N.C12H16.C11H14FNO.C11H15N.C10H12Cl2N2.C10H13NO.C9H10.C7H14N2O.2C7H16N2.C6H10N2.C6H13NO2S.C5H11N.C4H9NS/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;12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;1-2-4-10(5-3-1)11-6-8-12-9-7-11;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;7-5-6-1-3-8-4-2-6;1-10(8,9)6-2-4-7-5-3-6;1-2-4-6-5-3-1;1-3-6-4-2-5-1/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;1-3,8,10,13H,4-7H2;1,3-4,7-8H,2,5-6,9-10H2;5-7,13H,1-4H2;1-5H,6-9H2;1-2,4-5H,3,6-7H2;8H,2-6H2,1H3;2*7-8H,3-6H2,1-2H3;6,8H,1-4H2;6-7H,2-5H2,1H3;6H,1-5H2;5H,1-4H2.
What are the key properties of 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine?
1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine has a molecular weight of 2810.04 g/mol, XLogP of 28.76, 21 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine;4-benzylpiperidine;cyclohexylbenzene;N-cyclopentylbenzamide;1-(1,4-diazepan-1-yl)ethanone;1-(3,5-dichlorophenyl)piperazine;2,3-dihydro-1H-indene;4-(3-fluorophenoxy)piperidine;4-methylsulfonylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;4-phenylmorpholine;1-phenylpiperidine;piperidine;piperidine-4-carbonitrile;bis(1-propan-2-ylpiperazine);thiomorpholine is sourced from PubChem (CID 160604398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).