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

C16H26N2O2 — CID 106835613

IUPAC1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
SMILESCOc1cc(CN2CCC(C(C)O)CC2)ccc1CN
InChIInChI=1S/C16H26N2O2/c1-12(19)14-5-7-18(8-6-14)11-13-3-4-15(10-17)16(9-13)20-2/h3-4,9,12,14,19H,5-8,10-11,17H2,1-2H3
InChIKeySAMZFDRRZGYECG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds5

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

1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol (PubChem CID 106835613) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
PubChem CID106835613
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
SMILESCOc1cc(CN2CCC(C(C)O)CC2)ccc1CN
InChIInChI=1S/C16H26N2O2/c1-12(19)14-5-7-18(8-6-14)11-13-3-4-15(10-17)16(9-13)20-2/h3-4,9,12,14,19H,5-8,10-11,17H2,1-2H3
InChIKeySAMZFDRRZGYECG-UHFFFAOYSA-N
XLogP1.75
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol (CID 106835613) is 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol is COc1cc(CN2CCC(C(C)O)CC2)ccc1CN.
What is the InChIKey of 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is SAMZFDRRZGYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(19)14-5-7-18(8-6-14)11-13-3-4-15(10-17)16(9-13)20-2/h3-4,9,12,14,19H,5-8,10-11,17H2,1-2H3.
What are the key properties of 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol?
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).