4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride

C17H28Cl2N2O2 — CID 171287129

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
SMILESCOc1cc(O)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O2.2ClH/c1-21-16-12-14(20)6-7-15(16)17(13-4-2-3-5-13)19-10-8-18-9-11-19;;/h6-7,12-13,17-18,20H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyABJFPDCTBLBSNM-ZEECNFPPSA-N
MW363.33 g/mol
LogP3.38
Rot. Bonds4

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride (PubChem CID 171287129) has the molecular formula C17H28Cl2N2O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
PubChem CID171287129
Molecular FormulaC17H28Cl2N2O2
Molecular Weight363.33 g/mol
Exact Mass362.15
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
SMILESCOc1cc(O)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2O2.2ClH/c1-21-16-12-14(20)6-7-15(16)17(13-4-2-3-5-13)19-10-8-18-9-11-19;;/h6-7,12-13,17-18,20H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1
InChIKeyABJFPDCTBLBSNM-ZEECNFPPSA-N
XLogP3.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
CID 171162966
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171181597
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride (CID 171287129) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride is COc1cc(O)ccc1[C@@H](C1CCCC1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride?
The InChIKey is ABJFPDCTBLBSNM-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H26N2O2.2ClH/c1-21-16-12-14(20)6-7-15(16)17(13-4-2-3-5-13)19-10-8-18-9-11-19;;/h6-7,12-13,17-18,20H,2-5,8-11H2,1H3;2*1H/t17-;;/m1../s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride is sourced from PubChem (CID 171287129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).