N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine

C27H32N2 — CID 22111058

IUPACN-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine
SMILESc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C27H32N2/c1-4-10-23(11-5-1)22-29(26-16-19-28-20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2
InChIKeyKNDWYJGJHSGTSL-UHFFFAOYSA-N
MW384.57 g/mol
LogP5.46
Rot. Bonds8

About N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine

N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine (PubChem CID 22111058) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine
PubChem CID22111058
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC NameN-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine
SMILESc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C27H32N2/c1-4-10-23(11-5-1)22-29(26-16-19-28-20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2
InChIKeyKNDWYJGJHSGTSL-UHFFFAOYSA-N
XLogP5.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
1-benzyl-1-piperidin-4-ylhydrazine
CID 66594796
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N,N-dibenzylcyclobutanamine
CID 70822586
N-benzyl-N-(trifluoromethyl)piperidin-4-amine
CID 71648787
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-(2-methylpropyl)-N-[(3-phenylphenyl)methyl]piperidin-4-amine
CID 58624394

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine?
The IUPAC name of N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine (CID 22111058) is N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine is c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine?
The InChIKey is KNDWYJGJHSGTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-4-10-23(11-5-1)22-29(26-16-19-28-20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22H2.
What are the key properties of N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine?
N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine has a molecular weight of 384.57 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,3-diphenylpropyl)piperidin-4-amine is sourced from PubChem (CID 22111058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).