trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol

C16H23ClN2O — CID 102731807

IUPACtrans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c17-13-4-3-5-14(12-13)18-8-10-19(11-9-18)15-6-1-2-7-16(15)20/h3-5,12,15-16,20H,1-2,6-11H2/t15-,16-/m0/s1
InChIKeyFVFSCFADXUZOBJ-HOTGVXAUSA-N
MW294.83 g/mol
LogP2.77
Rot. Bonds2

About trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol (PubChem CID 102731807) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
PubChem CID102731807
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Nametrans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c17-13-4-3-5-14(12-13)18-8-10-19(11-9-18)15-6-1-2-7-16(15)20/h3-5,12,15-16,20H,1-2,6-11H2/t15-,16-/m0/s1
InChIKeyFVFSCFADXUZOBJ-HOTGVXAUSA-N
XLogP2.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
tert-butyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-hydroxypiperidine-1-carboxylate
CID 142698791
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
1-(3-chlorophenyl)azonane
CID 145391535
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
1-(3-chlorophenyl)-4-(cyclohexylmethyl)piperazin-4-ium
CID 6938406

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol (CID 102731807) is trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is FVFSCFADXUZOBJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-13-4-3-5-14(12-13)18-8-10-19(11-9-18)15-6-1-2-7-16(15)20/h3-5,12,15-16,20H,1-2,6-11H2/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 294.83 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102731807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).