1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine

C17H24F2N2O — CID 171165047

IUPAC1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1cccc([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24F2N2O/c18-17(19)22-15-7-3-6-14(12-15)16(13-4-1-2-5-13)21-10-8-20-9-11-21/h3,6-7,12-13,16-17,20H,1-2,4-5,8-11H2/t16-/m0/s1
InChIKeyJYEQNJJXAKAOJG-INIZCTEOSA-N
MW310.39 g/mol
LogP3.42
Rot. Bonds5

About 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine

1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171165047) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
PubChem CID171165047
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1cccc([C@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24F2N2O/c18-17(19)22-15-7-3-6-14(12-15)16(13-4-1-2-5-13)21-10-8-20-9-11-21/h3,6-7,12-13,16-17,20H,1-2,4-5,8-11H2/t16-/m0/s1
InChIKeyJYEQNJJXAKAOJG-INIZCTEOSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
CID 171293328
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine (CID 171165047) is 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine is FC(F)Oc1cccc([C@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is JYEQNJJXAKAOJG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-17(19)22-15-7-3-6-14(12-15)16(13-4-1-2-5-13)21-10-8-20-9-11-21/h3,6-7,12-13,16-17,20H,1-2,4-5,8-11H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 310.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171165047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).