1-[3-(dibenzylamino)propyl]piperidin-4-amine

C22H31N3 — CID 18403417

IUPAC1-[3-(dibenzylamino)propyl]piperidin-4-amine
SMILESNC1CCN(CCCN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3/c23-22-12-16-24(17-13-22)14-7-15-25(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19,23H2
InChIKeyJNNPMPHIWVRBMP-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.50
Rot. Bonds8

About 1-[3-(dibenzylamino)propyl]piperidin-4-amine

1-[3-(dibenzylamino)propyl]piperidin-4-amine (PubChem CID 18403417) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[3-(dibenzylamino)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(dibenzylamino)propyl]piperidin-4-amine
PubChem CID18403417
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-[3-(dibenzylamino)propyl]piperidin-4-amine
SMILESNC1CCN(CCCN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3/c23-22-12-16-24(17-13-22)14-7-15-25(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19,23H2
InChIKeyJNNPMPHIWVRBMP-UHFFFAOYSA-N
XLogP3.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 118585042
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
N-benzyl-1-phenylmethanamine;1-propylpiperidin-4-amine
CID 18001643
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
1-[3-(dibenzylamino)propyl]imidazolidin-2-one
CID 130965229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dibenzylamino)propyl]piperidin-4-amine?
The IUPAC name of 1-[3-(dibenzylamino)propyl]piperidin-4-amine (CID 18403417) is 1-[3-(dibenzylamino)propyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(dibenzylamino)propyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(dibenzylamino)propyl]piperidin-4-amine is NC1CCN(CCCN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-[3-(dibenzylamino)propyl]piperidin-4-amine?
The InChIKey is JNNPMPHIWVRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c23-22-12-16-24(17-13-22)14-7-15-25(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19,23H2.
What are the key properties of 1-[3-(dibenzylamino)propyl]piperidin-4-amine?
1-[3-(dibenzylamino)propyl]piperidin-4-amine has a molecular weight of 337.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dibenzylamino)propyl]piperidin-4-amine is sourced from PubChem (CID 18403417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).