(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

C16H26N2 — CID 81349160

IUPAC(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2/c1-13-7-9-15(10-8-13)14(2)17-12-16-6-4-5-11-18(16)3/h7-10,14,16-17H,4-6,11-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyUHGOKKHGOGYWPI-IURRXHLWSA-N
MW246.40 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 81349160) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID81349160
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
SMILESCc1ccc([C@@H](C)NCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2/c1-13-7-9-15(10-8-13)14(2)17-12-16-6-4-5-11-18(16)3/h7-10,14,16-17H,4-6,11-12H2,1-3H3/t14-,16?/m1/s1
InChIKeyUHGOKKHGOGYWPI-IURRXHLWSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81381366
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81403117
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260519
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103778943
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
1-(4-bromo-2-fluorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 82963875
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024105
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine (CID 81349160) is (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is Cc1ccc([C@@H](C)NCC2CCCCN2C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is UHGOKKHGOGYWPI-IURRXHLWSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-9-15(10-8-13)14(2)17-12-16-6-4-5-11-18(16)3/h7-10,14,16-17H,4-6,11-12H2,1-3H3/t14-,16?/m1/s1.
What are the key properties of (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine?
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81349160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).