1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride

C18H24Cl2N2 — CID 174330652

IUPAC1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccccc2)CCCCN1Cc1ccccc1
InChIInChI=1S/C18H22N2.2ClH/c19-18(17-11-5-2-6-12-17)13-7-8-14-20(18)15-16-9-3-1-4-10-16;;/h1-6,9-12H,7-8,13-15,19H2;2*1H
InChIKeyZKZFKCUBSTUMEL-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.33
Rot. Bonds3

About 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride

1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride (PubChem CID 174330652) has the molecular formula C18H24Cl2N2 and a molecular weight of 339.31 g/mol. Its IUPAC name is 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
PubChem CID174330652
Molecular FormulaC18H24Cl2N2
Molecular Weight339.31 g/mol
Exact Mass338.13
IUPAC Name1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccccc2)CCCCN1Cc1ccccc1
InChIInChI=1S/C18H22N2.2ClH/c19-18(17-11-5-2-6-12-17)13-7-8-14-20(18)15-16-9-3-1-4-10-16;;/h1-6,9-12H,7-8,13-15,19H2;2*1H
InChIKeyZKZFKCUBSTUMEL-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
6-benzyl-6-azaspiro[4.5]decan-4-amine
CID 82664902
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
(1,2-dibenzylazocan-2-yl)methanol
CID 102289051
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
CID 102412352
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride?
The IUPAC name of 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride (CID 174330652) is 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride is Cl.Cl.NC1(c2ccccc2)CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride?
The InChIKey is ZKZFKCUBSTUMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.2ClH/c19-18(17-11-5-2-6-12-17)13-7-8-14-20(18)15-16-9-3-1-4-10-16;;/h1-6,9-12H,7-8,13-15,19H2;2*1H.
What are the key properties of 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride?
1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride is sourced from PubChem (CID 174330652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).