N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine

C20H33N3 — CID 123661547

IUPACN'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
SMILESc1ccc(CN(CNC2CCCCC2)CC2CCNCC2)cc1
InChIInChI=1S/C20H33N3/c1-3-7-18(8-4-1)15-23(16-19-11-13-21-14-12-19)17-22-20-9-5-2-6-10-20/h1,3-4,7-8,19-22H,2,5-6,9-17H2
InChIKeySLVHKKCSHWLNNU-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.37
Rot. Bonds7

About N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine

N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine (PubChem CID 123661547) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine.

Molecular Properties

Compound NameN'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
PubChem CID123661547
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC NameN'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
SMILESc1ccc(CN(CNC2CCCCC2)CC2CCNCC2)cc1
InChIInChI=1S/C20H33N3/c1-3-7-18(8-4-1)15-23(16-19-11-13-21-14-12-19)17-22-20-9-5-2-6-10-20/h1,3-4,7-8,19-22H,2,5-6,9-17H2
InChIKeySLVHKKCSHWLNNU-UHFFFAOYSA-N
XLogP3.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
benzene;N-benzylcyclohexanamine
CID 142622843
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
1-benzyl-1-piperidin-4-ylhydrazine
CID 66594796
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-benzyl-4-bromo-N-(piperidin-4-ylmethyl)aniline;hydrochloride
CID 90018953
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine?
The IUPAC name of N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine (CID 123661547) is N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine.
What is the SMILES notation for N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine?
The canonical SMILES for N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine is c1ccc(CN(CNC2CCCCC2)CC2CCNCC2)cc1.
What is the InChIKey of N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine?
The InChIKey is SLVHKKCSHWLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-3-7-18(8-4-1)15-23(16-19-11-13-21-14-12-19)17-22-20-9-5-2-6-10-20/h1,3-4,7-8,19-22H,2,5-6,9-17H2.
What are the key properties of N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine?
N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine has a molecular weight of 315.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine is sourced from PubChem (CID 123661547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).