1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride

C21H30Cl2N2 — CID 141046563

IUPAC1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
SMILESCNC1CCCCN1CCC(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2.2ClH/c1-22-21-14-8-9-16-23(21)17-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;;/h2-7,10-13,20-22H,8-9,14-17H2,1H3;2*1H
InChIKeyZTAYPIIYIAWHPU-UHFFFAOYSA-N
MW381.39 g/mol
LogP5.08
Rot. Bonds6

About 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride

1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride (PubChem CID 141046563) has the molecular formula C21H30Cl2N2 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
PubChem CID141046563
Molecular FormulaC21H30Cl2N2
Molecular Weight381.39 g/mol
Exact Mass380.18
IUPAC Name1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
SMILESCNC1CCCCN1CCC(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2.2ClH/c1-22-21-14-8-9-16-23(21)17-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;;/h2-7,10-13,20-22H,8-9,14-17H2,1H3;2*1H
InChIKeyZTAYPIIYIAWHPU-UHFFFAOYSA-N
XLogP5.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine
CID 141046564
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
CID 172758906
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-[2-[3-(2-fluorophenyl)-2,2-dihydroxy-2λ4,1,3-benzothiadiazol-1-yl]ethyl]-N-methylpiperidin-2-amine;dihydrochloride
CID 68713321
1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
CID 68853104
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride?
The IUPAC name of 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride (CID 141046563) is 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride?
The canonical SMILES for 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride is CNC1CCCCN1CCC(c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride?
The InChIKey is ZTAYPIIYIAWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.2ClH/c1-22-21-14-8-9-16-23(21)17-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;;/h2-7,10-13,20-22H,8-9,14-17H2,1H3;2*1H.
What are the key properties of 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride?
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride has a molecular weight of 381.39 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride is sourced from PubChem (CID 141046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).