1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine

C17H24ClFN2 — CID 64953574

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine
SMILESFc1ccc(CN2CCNC(C3CCCCC3)C2)cc1Cl
InChIInChI=1S/C17H24ClFN2/c18-15-10-13(6-7-16(15)19)11-21-9-8-20-17(12-21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2
InChIKeyNWDMHGKUHXKFFL-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.83
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine

1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine (PubChem CID 64953574) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine
PubChem CID64953574
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine
SMILESFc1ccc(CN2CCNC(C3CCCCC3)C2)cc1Cl
InChIInChI=1S/C17H24ClFN2/c18-15-10-13(6-7-16(15)19)11-21-9-8-20-17(12-21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2
InChIKeyNWDMHGKUHXKFFL-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-1,4-diazepane
CID 64870919
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
(3aS,6aS)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 124783736
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
6-[(4-fluoro-3-methylphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678451
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815
1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64871121
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine (CID 64953574) is 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine is Fc1ccc(CN2CCNC(C3CCCCC3)C2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine?
The InChIKey is NWDMHGKUHXKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c18-15-10-13(6-7-16(15)19)11-21-9-8-20-17(12-21)14-4-2-1-3-5-14/h6-7,10,14,17,20H,1-5,8-9,11-12H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine?
1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine has a molecular weight of 310.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexylpiperazine is sourced from PubChem (CID 64953574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).