[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

C16H26N2 — CID 114478616

IUPAC[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCC1CCCN(Cc2ccc(CN)cc2C)C1
InChIInChI=1S/C16H26N2/c1-3-14-5-4-8-18(11-14)12-16-7-6-15(10-17)9-13(16)2/h6-7,9,14H,3-5,8,10-12,17H2,1-2H3
InChIKeyMXZUVVWBXQJJGS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.08
Rot. Bonds4

About [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine

[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (PubChem CID 114478616) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
PubChem CID114478616
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCC1CCCN(Cc2ccc(CN)cc2C)C1
InChIInChI=1S/C16H26N2/c1-3-14-5-4-8-18(11-14)12-16-7-6-15(10-17)9-13(16)2/h6-7,9,14H,3-5,8,10-12,17H2,1-2H3
InChIKeyMXZUVVWBXQJJGS-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
4-[(3-ethylpiperidin-1-yl)methyl]-3-methylbenzoic acid
CID 114485403
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
CID 83982751
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478552

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine (CID 114478616) is [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is CCC1CCCN(Cc2ccc(CN)cc2C)C1.
What is the InChIKey of [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
The InChIKey is MXZUVVWBXQJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-5-4-8-18(11-14)12-16-7-6-15(10-17)9-13(16)2/h6-7,9,14H,3-5,8,10-12,17H2,1-2H3.
What are the key properties of [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine?
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114478616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).