N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride

C19H26Cl2N2 — CID 134094585

IUPACN-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
SMILESCN1CCC(NC(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N2.2ClH/c1-21-14-12-18(13-15-21)20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;;/h2-11,18-20H,12-15H2,1H3;2*1H
InChIKeyIVGCUQQSWSYUHE-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.30
Rot. Bonds4

About N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride

N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride (PubChem CID 134094585) has the molecular formula C19H26Cl2N2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
PubChem CID134094585
Molecular FormulaC19H26Cl2N2
Molecular Weight353.34 g/mol
Exact Mass352.15
IUPAC NameN-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
SMILESCN1CCC(NC(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N2.2ClH/c1-21-14-12-18(13-15-21)20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;;/h2-11,18-20H,12-15H2,1H3;2*1H
InChIKeyIVGCUQQSWSYUHE-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
CID 61210102
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529
N-[4-(benzhydrylamino)cyclohexylidene]hydroxylamine
CID 141139438

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride (CID 134094585) is N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride is CN1CCC(NC(c2ccccc2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is IVGCUQQSWSYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.2ClH/c1-21-14-12-18(13-15-21)20-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;;/h2-11,18-20H,12-15H2,1H3;2*1H.
What are the key properties of N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride?
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 353.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 134094585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).