[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone

C16H20ClF2N3O — CID 122156291

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H20ClF2N3O/c17-13-1-2-14(20-11-13)21-7-9-22(10-8-21)15(23)12-3-5-16(18,19)6-4-12/h1-2,11-12H,3-10H2
InChIKeyARIKVAVHXWPXQJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.21
Rot. Bonds2

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone (PubChem CID 122156291) has the molecular formula C16H20ClF2N3O and a molecular weight of 343.81 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
PubChem CID122156291
Molecular FormulaC16H20ClF2N3O
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H20ClF2N3O/c17-13-1-2-14(20-11-13)21-7-9-22(10-8-21)15(23)12-3-5-16(18,19)6-4-12/h1-2,11-12H,3-10H2
InChIKeyARIKVAVHXWPXQJ-UHFFFAOYSA-N
XLogP3.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone (CID 122156291) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone is O=C(C1CCC(F)(F)CC1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The InChIKey is ARIKVAVHXWPXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N3O/c17-13-1-2-14(20-11-13)21-7-9-22(10-8-21)15(23)12-3-5-16(18,19)6-4-12/h1-2,11-12H,3-10H2.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone has a molecular weight of 343.81 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 122156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).