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

C16H26N2O2 — CID 107227284

IUPAC2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
SMILESCOc1ccc(CN2CCCC(CCO)C2)cc1CN
InChIInChI=1S/C16H26N2O2/c1-20-16-5-4-14(9-15(16)10-17)12-18-7-2-3-13(11-18)6-8-19/h4-5,9,13,19H,2-3,6-8,10-12,17H2,1H3
InChIKeyAIDMLIHBAJVQGJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds6

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

2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol (PubChem CID 107227284) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
PubChem CID107227284
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
SMILESCOc1ccc(CN2CCCC(CCO)C2)cc1CN
InChIInChI=1S/C16H26N2O2/c1-20-16-5-4-14(9-15(16)10-17)12-18-7-2-3-13(11-18)6-8-19/h4-5,9,13,19H,2-3,6-8,10-12,17H2,1H3
InChIKeyAIDMLIHBAJVQGJ-UHFFFAOYSA-N
XLogP1.75
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-3-yl]ethanol
CID 62356314
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol (CID 107227284) is 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol is COc1ccc(CN2CCCC(CCO)C2)cc1CN.
What is the InChIKey of 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol?
The InChIKey is AIDMLIHBAJVQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-20-16-5-4-14(9-15(16)10-17)12-18-7-2-3-13(11-18)6-8-19/h4-5,9,13,19H,2-3,6-8,10-12,17H2,1H3.
What are the key properties of 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol?
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).