2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol

C16H26N2O — CID 107227286

IUPAC2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
SMILESCc1cc(CN)ccc1CN1CCCC(CCO)C1
InChIInChI=1S/C16H26N2O/c1-13-9-15(10-17)4-5-16(13)12-18-7-2-3-14(11-18)6-8-19/h4-5,9,14,19H,2-3,6-8,10-12,17H2,1H3
InChIKeyZAJLNFBGXKIUQI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds5

About 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol

2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol (PubChem CID 107227286) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
PubChem CID107227286
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
SMILESCc1cc(CN)ccc1CN1CCCC(CCO)C1
InChIInChI=1S/C16H26N2O/c1-13-9-15(10-17)4-5-16(13)12-18-7-2-3-14(11-18)6-8-19/h4-5,9,14,19H,2-3,6-8,10-12,17H2,1H3
InChIKeyZAJLNFBGXKIUQI-UHFFFAOYSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
CID 102663114
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
[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-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 65072325
2-[1-[(3-methylfuran-2-yl)methyl]piperidin-3-yl]ethanol
CID 115882769
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478552

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol (CID 107227286) is 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol is Cc1cc(CN)ccc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol?
The InChIKey is ZAJLNFBGXKIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-9-15(10-17)4-5-16(13)12-18-7-2-3-14(11-18)6-8-19/h4-5,9,14,19H,2-3,6-8,10-12,17H2,1H3.
What are the key properties of 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol?
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).