[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone

C23H26ClNO2 — CID 134790631

IUPAC[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C23H26ClNO2/c24-21-8-6-20(7-9-21)23(12-16-27-17-13-23)22(26)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19H,10-17H2
InChIKeyLLJFUHULKPOXOK-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.79
Rot. Bonds3

About [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone

[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134790631) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134790631
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C23H26ClNO2/c24-21-8-6-20(7-9-21)23(12-16-27-17-13-23)22(26)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19H,10-17H2
InChIKeyLLJFUHULKPOXOK-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
[1-(4-Chlorophenyl)cyclopropyl]-(4-phenylpiperidin-1-yl)methanone
CID 11588129
[1-(4-Chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
CID 11695794
[1-(4-Chloro-phenyl)-cyclopentyl]-morpholin-4-yl-methanone
CID 2201258
(4-Chlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4788644
[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-acetic acid 3-phenyl-propyl ester
CID 10340085
3-(4-Phenylpiperidin-1-yl)propyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45260516
4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 53506590
[4-(4-Chlorobenzyl)-1-(cyclohex-3-en-1-ylcarbonyl)piperidin-4-yl]methanol
CID 16190235
[4-(2-Chlorobenzyl)-1-(cyclohexylcarbonyl)piperidin-4-yl]methanol
CID 16192420
4-(4-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 134787709
[4-(4-Chlorophenyl)oxan-4-yl]-(4-fluoropiperidin-1-yl)methanone
CID 134788722

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134790631) is [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(N1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is LLJFUHULKPOXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO2/c24-21-8-6-20(7-9-21)23(12-16-27-17-13-23)22(26)25-14-10-19(11-15-25)18-4-2-1-3-5-18/h1-9,19H,10-17H2.
What are the key properties of [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 383.92 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134790631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).