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

C24H31NO — CID 13331

💊View drug profile → dipipanone
IUPAC4,4-diphenyl-6-piperidin-1-ylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
InChIKeySVDHSZFEQYXRDC-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.22
Rot. Bonds7

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

4,4-diphenyl-6-piperidin-1-ylheptan-3-one (PubChem CID 13331) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one.

Molecular Properties

Compound Name4,4-diphenyl-6-piperidin-1-ylheptan-3-one
PubChem CID13331
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name4,4-diphenyl-6-piperidin-1-ylheptan-3-one
SMILESCCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
InChIKeySVDHSZFEQYXRDC-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methadone
CID 4095
Isopropamide
CID 3775
Normethadone
CID 10090
Methadone Hydrochloride
CID 14184
Levomethadone
CID 22267
Isopropamide Iodide
CID 6284
(+)-Methadone
CID 643985
Isomethadone
CID 10072
Phenadoxone
CID 10089
Fenpiverinium Bromide
CID 71489
Sameridine
CID 65996
Norpipanone
CID 22391

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one?
The IUPAC name of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one (CID 13331) is 4,4-diphenyl-6-piperidin-1-ylheptan-3-one.
What is the SMILES notation for 4,4-diphenyl-6-piperidin-1-ylheptan-3-one?
The canonical SMILES for 4,4-diphenyl-6-piperidin-1-ylheptan-3-one is CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one?
The InChIKey is SVDHSZFEQYXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3.
What are the key properties of 4,4-diphenyl-6-piperidin-1-ylheptan-3-one?
4,4-diphenyl-6-piperidin-1-ylheptan-3-one has a molecular weight of 349.52 g/mol, XLogP of 5.22, 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-ylheptan-3-one is sourced from PubChem (CID 13331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).