1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine

C17H23ClF2N2 — CID 171171500

IUPAC1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
SMILESFc1ccc(Cl)c(F)c1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H23ClF2N2/c18-13-6-7-14(19)15(16(13)20)17(12-4-2-1-3-5-12)22-10-8-21-9-11-22/h6-7,12,17,21H,1-5,8-11H2/t17-/m1/s1
InChIKeyWAJNNUWJVMNMFY-QGZVFWFLSA-N
MW328.83 g/mol
LogP4.14
Rot. Bonds3

About 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine

1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine (PubChem CID 171171500) has the molecular formula C17H23ClF2N2 and a molecular weight of 328.83 g/mol. Its IUPAC name is 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
PubChem CID171171500
Molecular FormulaC17H23ClF2N2
Molecular Weight328.83 g/mol
Exact Mass328.15
IUPAC Name1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
SMILESFc1ccc(Cl)c(F)c1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H23ClF2N2/c18-13-6-7-14(19)15(16(13)20)17(12-4-2-1-3-5-12)22-10-8-21-9-11-22/h6-7,12,17,21H,1-5,8-11H2/t17-/m1/s1
InChIKeyWAJNNUWJVMNMFY-QGZVFWFLSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176993
1-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-(3-chloro-2,6-difluorophenyl)-(oxan-4-yl)methyl]piperazine
CID 171292469
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171299570
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171299571
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166160
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine?
The IUPAC name of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine (CID 171171500) is 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine is Fc1ccc(Cl)c(F)c1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine?
The InChIKey is WAJNNUWJVMNMFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23ClF2N2/c18-13-6-7-14(19)15(16(13)20)17(12-4-2-1-3-5-12)22-10-8-21-9-11-22/h6-7,12,17,21H,1-5,8-11H2/t17-/m1/s1.
What are the key properties of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine?
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine has a molecular weight of 328.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine is sourced from PubChem (CID 171171500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).