3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one

C19H28N2O2 — CID 2831646

IUPAC3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-18-10-4-3-9-16(18)17(20-11-5-1-6-12-20)15-19(23)21-13-7-2-8-14-21/h3-4,9-10,17,22H,1-2,5-8,11-15H2
InChIKeyHGKDAPBOUPXJKC-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.32
Rot. Bonds4

About 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one

3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one (PubChem CID 2831646) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one
PubChem CID2831646
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H28N2O2/c22-18-10-4-3-9-16(18)17(20-11-5-1-6-12-20)15-19(23)21-13-7-2-8-14-21/h3-4,9-10,17,22H,1-2,5-8,11-15H2
InChIKeyHGKDAPBOUPXJKC-UHFFFAOYSA-N
XLogP3.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one (CID 2831646) is 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one is O=C(CC(c1ccccc1O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one?
The InChIKey is HGKDAPBOUPXJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18-10-4-3-9-16(18)17(20-11-5-1-6-12-20)15-19(23)21-13-7-2-8-14-21/h3-4,9-10,17,22H,1-2,5-8,11-15H2.
What are the key properties of 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one?
3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1,3-di(piperidin-1-yl)propan-1-one is sourced from PubChem (CID 2831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).