1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol

C19H29ClN2O — CID 24895131

IUPAC1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
InChIKeyGRUIIAQNNWQJPW-GOSISDBHSA-N
MW336.91 g/mol
LogP3.37
Rot. Bonds4

About 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol

1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (PubChem CID 24895131) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
PubChem CID24895131
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1
InChIInChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
InChIKeyGRUIIAQNNWQJPW-GOSISDBHSA-N
XLogP3.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (CID 24895131) is 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol is CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The InChIKey is GRUIIAQNNWQJPW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol has a molecular weight of 336.91 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 24895131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).