1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine

C16H23FN2O — CID 171176216

IUPAC1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-20-15-11-13(17)5-6-14(15)16(12-3-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,2-4,7-10H2,1H3/t16-/m1/s1
InChIKeyDGTCIYQRQKSXMK-MRXNPFEDSA-N
MW278.37 g/mol
LogP2.58
Rot. Bonds4

About 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine

1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 171176216) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID171176216
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C16H23FN2O/c1-20-15-11-13(17)5-6-14(15)16(12-3-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,2-4,7-10H2,1H3/t16-/m1/s1
InChIKeyDGTCIYQRQKSXMK-MRXNPFEDSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181596
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171181597
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine (CID 171176216) is 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine is COc1cc(F)ccc1[C@@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is DGTCIYQRQKSXMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-20-15-11-13(17)5-6-14(15)16(12-3-2-4-12)19-9-7-18-8-10-19/h5-6,11-12,16,18H,2-4,7-10H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 278.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171176216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).