1-(1-benzylpiperidin-4-yl)-4-butylpiperazine

C20H33N3 — CID 68897580

IUPAC1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
SMILESCCCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3/c1-2-3-11-21-14-16-23(17-15-21)20-9-12-22(13-10-20)18-19-7-5-4-6-8-19/h4-8,20H,2-3,9-18H2,1H3
InChIKeyHHNRUTZIXOKLPT-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.07
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine

1-(1-benzylpiperidin-4-yl)-4-butylpiperazine (PubChem CID 68897580) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
PubChem CID68897580
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
SMILESCCCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H33N3/c1-2-3-11-21-14-16-23(17-15-21)20-9-12-22(13-10-20)18-19-7-5-4-6-8-19/h4-8,20H,2-3,9-18H2,1H3
InChIKeyHHNRUTZIXOKLPT-UHFFFAOYSA-N
XLogP3.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-cyclopropylpiperazine
CID 69195043
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-benzyl-4-heptylpiperazine
CID 22088087
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
butyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;trihydrochloride
CID 140563419
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine (CID 68897580) is 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine is CCCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine?
The InChIKey is HHNRUTZIXOKLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-2-3-11-21-14-16-23(17-15-21)20-9-12-22(13-10-20)18-19-7-5-4-6-8-19/h4-8,20H,2-3,9-18H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine?
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine has a molecular weight of 315.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-butylpiperazine is sourced from PubChem (CID 68897580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).