2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine

C17H28N2 — CID 54893417

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cccc(CNCC(C)CN2CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-15-7-6-8-17(11-15)13-18-12-16(2)14-19-9-4-3-5-10-19/h6-8,11,16,18H,3-5,9-10,12-14H2,1-2H3
InChIKeyFLFCODSQIVPAFB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds6

About 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine

2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 54893417) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID54893417
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1cccc(CNCC(C)CN2CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-15-7-6-8-17(11-15)13-18-12-16(2)14-19-9-4-3-5-10-19/h6-8,11,16,18H,3-5,9-10,12-14H2,1-2H3
InChIKeyFLFCODSQIVPAFB-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111900325
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60961619
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzene-1,2-diol
CID 60957707
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
N-(1H-indol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 102910856
3-[[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 119122330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 54893417) is 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine is Cc1cccc(CNCC(C)CN2CCCCC2)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is FLFCODSQIVPAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-7-6-8-17(11-15)13-18-12-16(2)14-19-9-4-3-5-10-19/h6-8,11,16,18H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine?
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54893417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).