3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

C21H36N4 — CID 21109896

IUPAC3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H36N4/c1-22(2)11-6-12-23-15-17-25(18-16-23)21-9-13-24(14-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21H,6,9-19H2,1-2H3
InChIKeyIRRMXUVNAFYMKY-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.22
Rot. Bonds7

About 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 21109896) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID21109896
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H36N4/c1-22(2)11-6-12-23-15-17-25(18-16-23)21-9-13-24(14-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21H,6,9-19H2,1-2H3
InChIKeyIRRMXUVNAFYMKY-UHFFFAOYSA-N
XLogP2.22
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-benzyl-4-cyclopropylpiperazine
CID 69195043
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-(1-benzylpiperidin-4-yl)-4-(2-iodopropan-2-yl)piperazine
CID 163881798
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 21109896) is 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is IRRMXUVNAFYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-22(2)11-6-12-23-15-17-25(18-16-23)21-9-13-24(14-10-21)19-20-7-4-3-5-8-20/h3-5,7-8,21H,6,9-19H2,1-2H3.
What are the key properties of 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 344.55 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 21109896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).