1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol

C17H28N2O — CID 62199977

IUPAC1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-3-14-8-10-19(11-9-14)13-17(20)16-6-4-15(12-18)5-7-16/h4-7,14,17,20H,2-3,8-13,18H2,1H3
InChIKeyAUCNENOXDQOFPZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.69
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol

1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol (PubChem CID 62199977) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
PubChem CID62199977
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
SMILESCCCC1CCN(CC(O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-3-14-8-10-19(11-9-14)13-17(20)16-6-4-15(12-18)5-7-16/h4-7,14,17,20H,2-3,8-13,18H2,1H3
InChIKeyAUCNENOXDQOFPZ-UHFFFAOYSA-N
XLogP2.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
CID 114797226
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690
1-(4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 107520786
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol (CID 62199977) is 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol is CCCC1CCN(CC(O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol?
The InChIKey is AUCNENOXDQOFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-14-8-10-19(11-9-14)13-17(20)16-6-4-15(12-18)5-7-16/h4-7,14,17,20H,2-3,8-13,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol?
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol is sourced from PubChem (CID 62199977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).