4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine

C21H37N3 — CID 113222336

IUPAC4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H37N3/c1-4-23(5-2)15-9-11-19(3)22-21-14-10-16-24(18-21)17-20-12-7-6-8-13-20/h6-8,12-13,19,21-22H,4-5,9-11,14-18H2,1-3H3
InChIKeyVBRVPRCCWGKBST-UHFFFAOYSA-N
MW331.55 g/mol
LogP3.75
Rot. Bonds10

About 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 113222336) has the molecular formula C21H37N3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID113222336
Molecular FormulaC21H37N3
Molecular Weight331.55 g/mol
Exact Mass331.30
IUPAC Name4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H37N3/c1-4-23(5-2)15-9-11-19(3)22-21-14-10-16-24(18-21)17-20-12-7-6-8-13-20/h6-8,12-13,19,21-22H,4-5,9-11,14-18H2,1-3H3
InChIKeyVBRVPRCCWGKBST-UHFFFAOYSA-N
XLogP3.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 113222336) is 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is VBRVPRCCWGKBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3/c1-4-23(5-2)15-9-11-19(3)22-21-14-10-16-24(18-21)17-20-12-7-6-8-13-20/h6-8,12-13,19,21-22H,4-5,9-11,14-18H2,1-3H3.
What are the key properties of 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 331.55 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 113222336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).