1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine

C22H29N3 — CID 156786556

IUPAC1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
SMILESc1ccc(C2CCN(c3ccccc3CN3CCNCC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-10-14-25(15-11-20)22-9-5-4-8-21(22)18-24-16-12-23-13-17-24/h1-9,20,23H,10-18H2
InChIKeyWPZHEOLBHFTQBW-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.48
Rot. Bonds4

About 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine

1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine (PubChem CID 156786556) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
PubChem CID156786556
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
SMILESc1ccc(C2CCN(c3ccccc3CN3CCNCC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-10-14-25(15-11-20)22-9-5-4-8-21(22)18-24-16-12-23-13-17-24/h1-9,20,23H,10-18H2
InChIKeyWPZHEOLBHFTQBW-UHFFFAOYSA-N
XLogP3.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
CID 156786567
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CID 22355892
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
CID 117487288
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
CID 68767972
1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360479
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine (CID 156786556) is 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine is c1ccc(C2CCN(c3ccccc3CN3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine?
The InChIKey is WPZHEOLBHFTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-10-14-25(15-11-20)22-9-5-4-8-21(22)18-24-16-12-23-13-17-24/h1-9,20,23H,10-18H2.
What are the key properties of 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine?
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine has a molecular weight of 335.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 156786556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).