1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine

C25H35N3 — CID 59395187

IUPAC1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(CC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC(C)N1
InChIInChI=1S/C25H35N3/c1-21-17-28(18-22(2)26-21)20-25(24-11-7-4-8-12-24)13-15-27(16-14-25)19-23-9-5-3-6-10-23/h3-12,21-22,26H,13-20H2,1-2H3
InChIKeyIDOMBCXMCWXCHM-UHFFFAOYSA-N
MW377.58 g/mol
LogP3.90
Rot. Bonds5

About 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine

1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine (PubChem CID 59395187) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
PubChem CID59395187
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(CC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC(C)N1
InChIInChI=1S/C25H35N3/c1-21-17-28(18-22(2)26-21)20-25(24-11-7-4-8-12-24)13-15-27(16-14-25)19-23-9-5-3-6-10-23/h3-12,21-22,26H,13-20H2,1-2H3
InChIKeyIDOMBCXMCWXCHM-UHFFFAOYSA-N
XLogP3.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(isocyanomethyl)-4-phenylpiperidine
CID 5115779
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
1-benzyl-4-isocyano-4-phenylpiperidine
CID 20812471
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
9-benzyl-2-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 83488700
1-benzyl-4-methylpiperidin-4-ol
CID 10845913

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine (CID 59395187) is 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine is CC1CN(CC2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC(C)N1.
What is the InChIKey of 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine?
The InChIKey is IDOMBCXMCWXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3/c1-21-17-28(18-22(2)26-21)20-25(24-11-7-4-8-12-24)13-15-27(16-14-25)19-23-9-5-3-6-10-23/h3-12,21-22,26H,13-20H2,1-2H3.
What are the key properties of 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine?
1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine has a molecular weight of 377.58 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 59395187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).