N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine

C16H26N2 — CID 61206350

IUPACN-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-13-7-4-5-9-16(13)14(2)18-10-6-8-15(12-18)11-17-3/h4-5,7,9,14-15,17H,6,8,10-12H2,1-3H3
InChIKeyFDXRPZHPHJWTTG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds4

About N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine (PubChem CID 61206350) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
PubChem CID61206350
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2ccccc2C)C1
InChIInChI=1S/C16H26N2/c1-13-7-4-5-9-16(13)14(2)18-10-6-8-15(12-18)11-17-3/h4-5,7,9,14-15,17H,6,8,10-12H2,1-3H3
InChIKeyFDXRPZHPHJWTTG-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
1-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61205990
3-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65071978
1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
N-methyl-1-[1-[1-(2-nitrophenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922075
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
(3S)-1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(sulfamoylamino)methyl]piperidine
CID 95339246
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine (CID 61206350) is N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine is CNCC1CCCN(C(C)c2ccccc2C)C1.
What is the InChIKey of N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is FDXRPZHPHJWTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-4-5-9-16(13)14(2)18-10-6-8-15(12-18)11-17-3/h4-5,7,9,14-15,17H,6,8,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 61206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).