3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C20H30N2O2 — CID 95124446

IUPAC3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCN2CCC(c3cccc(O)c3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-16-4-3-10-22(15-16)20(24)9-13-21-11-7-17(8-12-21)18-5-2-6-19(23)14-18/h2,5-6,14,16-17,23H,3-4,7-13,15H2,1H3/t16-/m1/s1
InChIKeyFFYBHDNAPZDRAB-MRXNPFEDSA-N
MW330.47 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 95124446) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID95124446
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCN2CCC(c3cccc(O)c3)CC2)C1
InChIInChI=1S/C20H30N2O2/c1-16-4-3-10-22(15-16)20(24)9-13-21-11-7-17(8-12-21)18-5-2-6-19(23)14-18/h2,5-6,14,16-17,23H,3-4,7-13,15H2,1H3/t16-/m1/s1
InChIKeyFFYBHDNAPZDRAB-MRXNPFEDSA-N
XLogP3.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

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3-(1-propan-2-ylazepan-4-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 95124446) is 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(C(=O)CCN2CCC(c3cccc(O)c3)CC2)C1.
What is the InChIKey of 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is FFYBHDNAPZDRAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-4-3-10-22(15-16)20(24)9-13-21-11-7-17(8-12-21)18-5-2-6-19(23)14-18/h2,5-6,14,16-17,23H,3-4,7-13,15H2,1H3/t16-/m1/s1.
What are the key properties of 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95124446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).