[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

C16H26N2 — CID 114960117

IUPAC[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCc1ccc(CN2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)11-18-9-8-13(2)16(10-17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyWIQGFGGROYIRIE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.67
Rot. Bonds4

About [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine

[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960117) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114960117
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCc1ccc(CN2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)11-18-9-8-13(2)16(10-17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3
InChIKeyWIQGFGGROYIRIE-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 114959973
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
CID 114961207
[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960042
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114960117) is [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is CCc1ccc(CN2CCC(C)C(CN)C2)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is WIQGFGGROYIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-4-6-15(7-5-14)11-18-9-8-13(2)16(10-17)12-18/h4-7,13,16H,3,8-12,17H2,1-2H3.
What are the key properties of [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).