[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone

C15H22N2O2 — CID 107672073

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11-9-13(4-5-14(11)18)15(19)17-8-2-3-12(10-17)6-7-16/h4-5,9,12,18H,2-3,6-8,10,16H2,1H3
InChIKeyIIAPYWZXWHAYQM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 107672073) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
PubChem CID107672073
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCN)C2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-11-9-13(4-5-14(11)18)15(19)17-8-2-3-12(10-17)6-7-16/h4-5,9,12,18H,2-3,6-8,10,16H2,1H3
InChIKeyIIAPYWZXWHAYQM-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (CID 107672073) is [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC(CCN)C2)ccc1O.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is IIAPYWZXWHAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-13(4-5-14(11)18)15(19)17-8-2-3-12(10-17)6-7-16/h4-5,9,12,18H,2-3,6-8,10,16H2,1H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.90, 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]-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 107672073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).