1-benzyl-N,N-dibutylpiperidin-4-amine

C20H34N2 — CID 102272076

IUPAC1-benzyl-N,N-dibutylpiperidin-4-amine
SMILESCCCCN(CCCC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H34N2/c1-3-5-14-22(15-6-4-2)20-12-16-21(17-13-20)18-19-10-8-7-9-11-19/h7-11,20H,3-6,12-18H2,1-2H3
InChIKeyXQNIBDFCPGGKMN-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.55
Rot. Bonds9

About 1-benzyl-N,N-dibutylpiperidin-4-amine

1-benzyl-N,N-dibutylpiperidin-4-amine (PubChem CID 102272076) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-benzyl-N,N-dibutylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N,N-dibutylpiperidin-4-amine
PubChem CID102272076
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-benzyl-N,N-dibutylpiperidin-4-amine
SMILESCCCCN(CCCC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H34N2/c1-3-5-14-22(15-6-4-2)20-12-16-21(17-13-20)18-19-10-8-7-9-11-19/h7-11,20H,3-6,12-18H2,1-2H3
InChIKeyXQNIBDFCPGGKMN-UHFFFAOYSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
1-benzyl-4-butylpiperazine;ethane
CID 90954358
3-(4-acetylphenyl)-1-(1-benzylpiperidin-4-yl)-1-butylurea
CID 141100652
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
1-benzyl-4-heptylpiperazine
CID 22088087

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dibutylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N,N-dibutylpiperidin-4-amine (CID 102272076) is 1-benzyl-N,N-dibutylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N,N-dibutylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N,N-dibutylpiperidin-4-amine is CCCCN(CCCC)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N,N-dibutylpiperidin-4-amine?
The InChIKey is XQNIBDFCPGGKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-3-5-14-22(15-6-4-2)20-12-16-21(17-13-20)18-19-10-8-7-9-11-19/h7-11,20H,3-6,12-18H2,1-2H3.
What are the key properties of 1-benzyl-N,N-dibutylpiperidin-4-amine?
1-benzyl-N,N-dibutylpiperidin-4-amine has a molecular weight of 302.51 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dibutylpiperidin-4-amine is sourced from PubChem (CID 102272076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).