[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone

C14H20N2O2 — CID 63766901

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c15-7-6-11-3-2-8-16(10-11)14(18)12-4-1-5-13(17)9-12/h1,4-5,9,11,17H,2-3,6-8,10,15H2
InChIKeyLVTXSYXLTGTAKW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 63766901) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID63766901
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c15-7-6-11-3-2-8-16(10-11)14(18)12-4-1-5-13(17)9-12/h1,4-5,9,11,17H,2-3,6-8,10,15H2
InChIKeyLVTXSYXLTGTAKW-UHFFFAOYSA-N
XLogP1.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone 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

[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
[3-(2-aminoethyl)piperidin-1-yl]-(3-nitrophenyl)methanone;hydrochloride
CID 120727457
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706427
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone (CID 63766901) is [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is NCCC1CCCN(C(=O)c2cccc(O)c2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is LVTXSYXLTGTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-7-6-11-3-2-8-16(10-11)14(18)12-4-1-5-13(17)9-12/h1,4-5,9,11,17H,2-3,6-8,10,15H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 63766901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).