1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride

C18H28Cl2F2N2 — CID 171293020

IUPAC1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1F.Cl.Cl
InChIInChI=1S/C18H26F2N2.2ClH/c1-13-7-8-15(19)16(17(13)20)18(14-5-3-2-4-6-14)22-11-9-21-10-12-22;;/h7-8,14,18,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1
InChIKeySHXWBXZGMUTESB-JPKZNVRTSA-N
MW381.34 g/mol
LogP4.64
Rot. Bonds3

About 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171293020) has the molecular formula C18H28Cl2F2N2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171293020
Molecular FormulaC18H28Cl2F2N2
Molecular Weight381.34 g/mol
Exact Mass380.16
IUPAC Name1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
SMILESCc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1F.Cl.Cl
InChIInChI=1S/C18H26F2N2.2ClH/c1-13-7-8-15(19)16(17(13)20)18(14-5-3-2-4-6-14)22-11-9-21-10-12-22;;/h7-8,14,18,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1
InChIKeySHXWBXZGMUTESB-JPKZNVRTSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851
1-[(S)-(3-bromo-2,6-difluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171277699
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride (CID 171293020) is 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride is Cc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1F.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is SHXWBXZGMUTESB-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H26F2N2.2ClH/c1-13-7-8-15(19)16(17(13)20)18(14-5-3-2-4-6-14)22-11-9-21-10-12-22;;/h7-8,14,18,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 381.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171293020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).