1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride

C15H20Cl2F2N2 — CID 171176993

IUPAC1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(F)c1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H19ClF2N2.ClH/c16-11-4-5-12(17)13(14(11)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m1./s1
InChIKeyCSGQEGSZIQHSBR-XFULWGLBSA-N
MW337.24 g/mol
LogP3.79
Rot. Bonds3

About 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride

1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride (PubChem CID 171176993) has the molecular formula C15H20Cl2F2N2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
PubChem CID171176993
Molecular FormulaC15H20Cl2F2N2
Molecular Weight337.24 g/mol
Exact Mass336.10
IUPAC Name1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(F)c1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H19ClF2N2.ClH/c16-11-4-5-12(17)13(14(11)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m1./s1
InChIKeyCSGQEGSZIQHSBR-XFULWGLBSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.79
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-[(S)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171180317
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171299571
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
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;hydrochloride
CID 171180441
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171176169
3-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171297931

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride (CID 171176993) is 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride is Cl.Fc1ccc(Cl)c(F)c1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
The InChIKey is CSGQEGSZIQHSBR-XFULWGLBSA-N. The full InChI is InChI=1S/C15H19ClF2N2.ClH/c16-11-4-5-12(17)13(14(11)18)15(10-2-1-3-10)20-8-6-19-7-9-20;/h4-5,10,15,19H,1-3,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride?
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride has a molecular weight of 337.24 g/mol, XLogP of 3.79, 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)-cyclobutylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 171176993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).