4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride

C16H26Cl2N2O — CID 171285185

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O.2ClH/c19-15-7-5-14(6-8-15)16(13-3-1-2-4-13)18-11-9-17-10-12-18;;/h5-8,13,16-17,19H,1-4,9-12H2;2*1H/t16-;;/m1../s1
InChIKeyOUXUYBLMNTXRGF-GGMCWBHBSA-N
MW333.30 g/mol
LogP3.37
Rot. Bonds3

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride (PubChem CID 171285185) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
PubChem CID171285185
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
SMILESCl.Cl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O.2ClH/c19-15-7-5-14(6-8-15)16(13-3-1-2-4-13)18-11-9-17-10-12-18;;/h5-8,13,16-17,19H,1-4,9-12H2;2*1H/t16-;;/m1../s1
InChIKeyOUXUYBLMNTXRGF-GGMCWBHBSA-N
XLogP3.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride 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

4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
CID 171287782
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
CID 171285149
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-cyclobutyl-(4-pyrrolidin-1-ylphenyl)methyl]piperazine;dihydrochloride
CID 171284553
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride (CID 171285185) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride is Cl.Cl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride?
The InChIKey is OUXUYBLMNTXRGF-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c19-15-7-5-14(6-8-15)16(13-3-1-2-4-13)18-11-9-17-10-12-18;;/h5-8,13,16-17,19H,1-4,9-12H2;2*1H/t16-;;/m1../s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride is sourced from PubChem (CID 171285185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).