4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol

C18H28N2O2 — CID 171274564

IUPAC4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
SMILESCCOc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C18H28N2O2/c1-2-22-17-13-15(7-8-16(17)21)18(14-5-3-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1
InChIKeyPSKYNWYNXHZCMW-SFHVURJKSA-N
MW304.43 g/mol
LogP2.93
Rot. Bonds5

About 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol

4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol (PubChem CID 171274564) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
PubChem CID171274564
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
SMILESCCOc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1O
InChIInChI=1S/C18H28N2O2/c1-2-22-17-13-15(7-8-16(17)21)18(14-5-3-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1
InChIKeyPSKYNWYNXHZCMW-SFHVURJKSA-N
XLogP2.93
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-cyclopentyl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280609
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol
CID 171291740
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171294229

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol (CID 171274564) is 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol is CCOc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1O.
What is the InChIKey of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol?
The InChIKey is PSKYNWYNXHZCMW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-22-17-13-15(7-8-16(17)21)18(14-5-3-4-6-14)20-11-9-19-10-12-20/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol?
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol has a molecular weight of 304.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol is sourced from PubChem (CID 171274564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).