[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone

C16H21ClN2O2 — CID 78802038

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-14-2-1-3-15(12-14)18-6-8-19(9-7-18)16(20)13-4-10-21-11-5-13/h1-3,12-13H,4-11H2
InChIKeyZAFFUCJQKKJHDM-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.42
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 78802038) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID78802038
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-14-2-1-3-15(12-14)18-6-8-19(9-7-18)16(20)13-4-10-21-11-5-13/h1-3,12-13H,4-11H2
InChIKeyZAFFUCJQKKJHDM-UHFFFAOYSA-N
XLogP2.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 134059602
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone (CID 78802038) is [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is ZAFFUCJQKKJHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-2-1-3-15(12-14)18-6-8-19(9-7-18)16(20)13-4-10-21-11-5-13/h1-3,12-13H,4-11H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 308.81 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 78802038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).