2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol

C16H22F2N2O — CID 171300132

IUPAC2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C16H22F2N2O/c17-12-9-13(18)15(14(21)10-12)16(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,16,19,21H,1-8H2/t16-/m1/s1
InChIKeyNZGWHZTYCUQNEM-MRXNPFEDSA-N
MW296.36 g/mol
LogP2.81
Rot. Bonds3

About 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol

2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol (PubChem CID 171300132) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol.

Molecular Properties

Compound Name2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol
PubChem CID171300132
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C16H22F2N2O/c17-12-9-13(18)15(14(21)10-12)16(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,16,19,21H,1-8H2/t16-/m1/s1
InChIKeyNZGWHZTYCUQNEM-MRXNPFEDSA-N
XLogP2.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-3,5-difluorophenol
CID 171300130
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,3,5-triol
CID 171284672
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol
CID 171301248
1-[(S)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171165147
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,4,5-trifluorophenol;dihydrochloride
CID 171301249
3,5-dibromo-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171297333
3,5-dibromo-2-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171299813
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(R)-cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methyl]piperazine
CID 171172190
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol?
The IUPAC name of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol (CID 171300132) is 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol.
What is the SMILES notation for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol?
The canonical SMILES for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol is Oc1cc(F)cc(F)c1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol?
The InChIKey is NZGWHZTYCUQNEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-12-9-13(18)15(14(21)10-12)16(11-3-1-2-4-11)20-7-5-19-6-8-20/h9-11,16,19,21H,1-8H2/t16-/m1/s1.
What are the key properties of 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol?
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol has a molecular weight of 296.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3,5-difluorophenol is sourced from PubChem (CID 171300132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).