N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

C110H131N13O3 — CID 157176108

IUPACN-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESC1=C(c2cccc(N3CCC(NCCN4CCOCC4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccc4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccn4)CC3)c2)Cc2ccccc21.CC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C31H43N5O2.C27H28N2.C26H33N3O.C26H27N3/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-21(8-3-1)20-28-26-13-15-29(16-14-26)27-12-6-11-24(19-27)25-17-22-9-4-5-10-23(22)18-25;1-2-5-22-19-24(18-21(22)4-1)23-6-3-7-26(20-23)29-11-8-25(9-12-29)27-10-13-28-14-16-30-17-15-28;1-2-7-21-17-23(16-20(21)6-1)22-8-5-10-26(18-22)29-14-11-24(12-15-29)28-19-25-9-3-4-13-27-25/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17,19,26,28H,13-16,18,20H2;1-7,18,20,25,27H,8-17,19H2;1-10,13,16,18,24,28H,11-12,14-15,17,19H2
InChIKeyAOAFJWUWRRJMIQ-UHFFFAOYSA-N
MW1683.35 g/mol
LogP19.49
Rot. Bonds22

About N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 157176108) has the molecular formula C110H131N13O3 and a molecular weight of 1683.35 g/mol. Its IUPAC name is N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID157176108
Molecular FormulaC110H131N13O3
Molecular Weight1683.35 g/mol
Exact Mass1682.05
IUPAC NameN-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESC1=C(c2cccc(N3CCC(NCCN4CCOCC4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccc4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccn4)CC3)c2)Cc2ccccc21.CC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C31H43N5O2.C27H28N2.C26H33N3O.C26H27N3/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-21(8-3-1)20-28-26-13-15-29(16-14-26)27-12-6-11-24(19-27)25-17-22-9-4-5-10-23(22)18-25;1-2-5-22-19-24(18-21(22)4-1)23-6-3-7-26(20-23)29-11-8-25(9-12-29)27-10-13-28-14-16-30-17-15-28;1-2-7-21-17-23(16-20(21)6-1)22-8-5-10-26(18-22)29-14-11-24(12-15-29)28-19-25-9-3-4-13-27-25/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17,19,26,28H,13-16,18,20H2;1-7,18,20,25,27H,8-17,19H2;1-10,13,16,18,24,28H,11-12,14-15,17,19H2
InChIKeyAOAFJWUWRRJMIQ-UHFFFAOYSA-N
XLogP19.49
TPSA135.01 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.35
LogP ≤ 519.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine
CID 164994964
tert-butyl 4-[3-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperazine-1-carboxylate
CID 118152907
tert-butyl 4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]prop-2-ynoxy]ethyl]piperazine-1-carboxylate
CID 134481462
2-[1-[[4-aminobutyl-[(8S)-4-[1-[[4-aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-9-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 143870494
N-methyl-N-[[9-(4-morpholin-4-ylbutyl)pyrido[3,4-b]indol-1-yl]methyl]-5-[1-[[4-morpholin-4-ylbutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-9H-pyrido[3,4-b]indol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143870658
tert-butyl 4-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-1-carboxylate;ethane
CID 144861368
tert-butyl 4-[2-amino-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-azido-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;carbanide;ethanol;palladium
CID 157218911
1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
CID 157486596
bis(tert-butyl N-[4-[9H-pyrido[3,4-b]indol-1-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]carbamate);N'-(9H-pyrido[3,4-b]indol-1-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;tetrahydrochloride
CID 157570656
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;2-[3-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 157582186
4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 158427996
tert-butyl 4-[(1R)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[(1S)-2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 159564458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (CID 157176108) is N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is C1=C(c2cccc(N3CCC(NCCN4CCOCC4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccc4)CC3)c2)Cc2ccccc21.C1=C(c2cccc(N3CCC(NCc4ccccn4)CC3)c2)Cc2ccccc21.CC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is AOAFJWUWRRJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O2.C27H28N2.C26H33N3O.C26H27N3/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-21(8-3-1)20-28-26-13-15-29(16-14-26)27-12-6-11-24(19-27)25-17-22-9-4-5-10-23(22)18-25;1-2-5-22-19-24(18-21(22)4-1)23-6-3-7-26(20-23)29-11-8-25(9-12-29)27-10-13-28-14-16-30-17-15-28;1-2-7-21-17-23(16-20(21)6-1)22-8-5-10-26(18-22)29-14-11-24(12-15-29)28-19-25-9-3-4-13-27-25/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17,19,26,28H,13-16,18,20H2;1-7,18,20,25,27H,8-17,19H2;1-10,13,16,18,24,28H,11-12,14-15,17,19H2.
What are the key properties of N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 1683.35 g/mol, XLogP of 19.49, 22 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 157176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).