4,4-diphenyl-6-piperidin-1-ylhexan-3-one

C23H29NO — CID 22391

💊View drug profile → norpipanone
IUPAC4,4-diphenyl-6-piperidin-1-ylhexan-3-one
SMILESCCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3
InChIKeyWCDSHELZWCOTMI-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.83
Rot. Bonds7

About 4,4-diphenyl-6-piperidin-1-ylhexan-3-one

4,4-diphenyl-6-piperidin-1-ylhexan-3-one (PubChem CID 22391) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 4,4-diphenyl-6-piperidin-1-ylhexan-3-one.

Molecular Properties

Compound Name4,4-diphenyl-6-piperidin-1-ylhexan-3-one
PubChem CID22391
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name4,4-diphenyl-6-piperidin-1-ylhexan-3-one
SMILESCCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3
InChIKeyWCDSHELZWCOTMI-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4095
Isopropamide
CID 3775
Methadone Hydrochloride
CID 14184
Normethadone
CID 10090
Levomethadone
CID 22267
Isopropamide Iodide
CID 6284
(+)-Methadone
CID 643985
Isomethadone
CID 10072
Phenadoxone
CID 10089
Fenpiverinium Bromide
CID 71489
Lenperone
CID 32593
Sameridine
CID 65996

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-6-piperidin-1-ylhexan-3-one?
The IUPAC name of 4,4-diphenyl-6-piperidin-1-ylhexan-3-one (CID 22391) is 4,4-diphenyl-6-piperidin-1-ylhexan-3-one.
What is the SMILES notation for 4,4-diphenyl-6-piperidin-1-ylhexan-3-one?
The canonical SMILES for 4,4-diphenyl-6-piperidin-1-ylhexan-3-one is CCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-6-piperidin-1-ylhexan-3-one?
The InChIKey is WCDSHELZWCOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3.
What are the key properties of 4,4-diphenyl-6-piperidin-1-ylhexan-3-one?
4,4-diphenyl-6-piperidin-1-ylhexan-3-one has a molecular weight of 335.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-6-piperidin-1-ylhexan-3-one is sourced from PubChem (CID 22391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).