[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

C17H28N2 — CID 103351706

IUPAC[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cc(C)ccc2C)C(CN)C1
InChIInChI=1S/C17H28N2/c1-4-15-7-8-19(17(10-15)11-18)12-16-9-13(2)5-6-14(16)3/h5-6,9,15,17H,4,7-8,10-12,18H2,1-3H3
InChIKeyYUZXPILZANRDQN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.25
Rot. Bonds4

About [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351706) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351706
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cc(C)ccc2C)C(CN)C1
InChIInChI=1S/C17H28N2/c1-4-15-7-8-19(17(10-15)11-18)12-16-9-13(2)5-6-14(16)3/h5-6,9,15,17H,4,7-8,10-12,18H2,1-3H3
InChIKeyYUZXPILZANRDQN-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-3-methylbenzonitrile
CID 103353274
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351610
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134
[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351813
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
CID 103353216
[4-ethyl-1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 103352976
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
CID 103351651
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103351706) is [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2cc(C)ccc2C)C(CN)C1.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is YUZXPILZANRDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-7-8-19(17(10-15)11-18)12-16-9-13(2)5-6-14(16)3/h5-6,9,15,17H,4,7-8,10-12,18H2,1-3H3.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).