benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine

C33H50N2 — CID 142033004

IUPACbenzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
SMILESCN(C1CCCCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1.c1ccccc1
InChIInChI=1S/C27H44N2.C6H6/c1-28(26-13-6-3-7-14-26)27-16-15-25(21-27)22-29-19-17-24(18-20-29)12-8-11-23-9-4-2-5-10-23;1-2-4-6-5-3-1/h2,4-5,9-10,24-27H,3,6-8,11-22H2,1H3;1-6H
InChIKeyFJRLZDWPJBYFEE-UHFFFAOYSA-N
MW474.78 g/mol
LogP7.84
Rot. Bonds8

About benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine

benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine (PubChem CID 142033004) has the molecular formula C33H50N2 and a molecular weight of 474.78 g/mol. Its IUPAC name is benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine.

Molecular Properties

Compound Namebenzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
PubChem CID142033004
Molecular FormulaC33H50N2
Molecular Weight474.78 g/mol
Exact Mass474.40
IUPAC Namebenzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
SMILESCN(C1CCCCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1.c1ccccc1
InChIInChI=1S/C27H44N2.C6H6/c1-28(26-13-6-3-7-14-26)27-16-15-25(21-27)22-29-19-17-24(18-20-29)12-8-11-23-9-4-2-5-10-23;1-2-4-6-5-3-1/h2,4-5,9-10,24-27H,3,6-8,11-22H2,1H3;1-6H
InChIKeyFJRLZDWPJBYFEE-UHFFFAOYSA-N
XLogP7.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;N-methylsulfanyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142032855
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032884
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
benzene;2-[cyclohexyl-[(3R)-3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033378
methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032910
N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
CID 142032852
benzene;2-[cyclopentylmethyl-[3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033383
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
benzene;ethane;hexanoic acid;1-[(3-methylcyclopentyl)methyl]-4-(3-phenylpropyl)piperidine
CID 142033420
N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 22982753
(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine
CID 101147371

Frequently Asked Questions

What is the IUPAC name of benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine?
The IUPAC name of benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine (CID 142033004) is benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine.
What is the SMILES notation for benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine?
The canonical SMILES for benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine is CN(C1CCCCC1)C1CCC(CN2CCC(CCCc3ccccc3)CC2)C1.c1ccccc1.
What is the InChIKey of benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine?
The InChIKey is FJRLZDWPJBYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2.C6H6/c1-28(26-13-6-3-7-14-26)27-16-15-25(21-27)22-29-19-17-24(18-20-29)12-8-11-23-9-4-2-5-10-23;1-2-4-6-5-3-1/h2,4-5,9-10,24-27H,3,6-8,11-22H2,1H3;1-6H.
What are the key properties of benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine?
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine has a molecular weight of 474.78 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine is sourced from PubChem (CID 142033004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).