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

C19H32N2 — CID 106623958

IUPAC2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)C(c1ccccc1)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C19H32N2/c1-15(2)19(18-10-6-5-7-11-18)21(16(3)4)14-17-9-8-12-20-13-17/h5-7,10-11,15-17,19-20H,8-9,12-14H2,1-4H3
InChIKeyYMOHNSOJWOABFZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.09
Rot. Bonds6

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

2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106623958) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID106623958
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)C(c1ccccc1)N(CC1CCCNC1)C(C)C
InChIInChI=1S/C19H32N2/c1-15(2)19(18-10-6-5-7-11-18)21(16(3)4)14-17-9-8-12-20-13-17/h5-7,10-11,15-17,19-20H,8-9,12-14H2,1-4H3
InChIKeyYMOHNSOJWOABFZ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
1-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106623955
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 106623958) is 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine is CC(C)C(c1ccccc1)N(CC1CCCNC1)C(C)C.
What is the InChIKey of 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is YMOHNSOJWOABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)19(18-10-6-5-7-11-18)21(16(3)4)14-17-9-8-12-20-13-17/h5-7,10-11,15-17,19-20H,8-9,12-14H2,1-4H3.
What are the key properties of 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106623958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).