N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride

C16H27ClN2 — CID 119931376

IUPACN-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(CN(C)CC1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-14(16-8-4-3-5-9-16)12-18(2)13-15-7-6-10-17-11-15;/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3;1H
InChIKeyPHMKMPBQSRWAPX-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride

N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride (PubChem CID 119931376) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
PubChem CID119931376
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
SMILESCC(CN(C)CC1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-14(16-8-4-3-5-9-16)12-18(2)13-15-7-6-10-17-11-15;/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3;1H
InChIKeyPHMKMPBQSRWAPX-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
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N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
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CID 119930141
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride (CID 119931376) is N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride is CC(CN(C)CC1CCCNC1)c1ccccc1.Cl.
What is the InChIKey of N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride?
The InChIKey is PHMKMPBQSRWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-14(16-8-4-3-5-9-16)12-18(2)13-15-7-6-10-17-11-15;/h3-5,8-9,14-15,17H,6-7,10-13H2,1-2H3;1H.
What are the key properties of N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride?
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 119931376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).