2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol

C14H22N2O — CID 54592604

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
SMILESNCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11,15H2
InChIKeyBTHSEKNBSJQULS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol

2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol (PubChem CID 54592604) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
PubChem CID54592604
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
SMILESNCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11,15H2
InChIKeyBTHSEKNBSJQULS-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
CID 111110310
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol (CID 54592604) is 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol is NCC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol?
The InChIKey is BTHSEKNBSJQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11,15H2.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol?
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol has a molecular weight of 234.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 54592604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).