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

C14H22N2O — CID 106835397

IUPAC1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C14H22N2O/c1-11(17)13-5-7-16(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,17H,5-8,10,15H2,1H3
InChIKeyRGGKKMBUYBNGOV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.74
Rot. Bonds3

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

1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 106835397) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID106835397
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C14H22N2O/c1-11(17)13-5-7-16(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,17H,5-8,10,15H2,1H3
InChIKeyRGGKKMBUYBNGOV-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol (CID 106835397) is 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2cccc(CN)c2)CC1.
What is the InChIKey of 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is RGGKKMBUYBNGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17)13-5-7-16(8-6-13)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,17H,5-8,10,15H2,1H3.
What are the key properties of 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol?
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).