2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol

C22H34ClNO — CID 142475201

IUPAC2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C22H34ClNO/c1-17(2)15-21(24-12-9-18(10-13-24)11-14-25)16-22(3,4)19-5-7-20(23)8-6-19/h5-8,15,18,21,25H,9-14,16H2,1-4H3
InChIKeyDORINMNBAGIDGF-UHFFFAOYSA-N
MW363.97 g/mol
LogP5.44
Rot. Bonds7

About 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol

2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol (PubChem CID 142475201) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol
PubChem CID142475201
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol
SMILESCC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C22H34ClNO/c1-17(2)15-21(24-12-9-18(10-13-24)11-14-25)16-22(3,4)19-5-7-20(23)8-6-19/h5-8,15,18,21,25H,9-14,16H2,1-4H3
InChIKeyDORINMNBAGIDGF-UHFFFAOYSA-N
XLogP5.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol (CID 142475201) is 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol is CC(C)=CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1.
What is the InChIKey of 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol?
The InChIKey is DORINMNBAGIDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClNO/c1-17(2)15-21(24-12-9-18(10-13-24)11-14-25)16-22(3,4)19-5-7-20(23)8-6-19/h5-8,15,18,21,25H,9-14,16H2,1-4H3.
What are the key properties of 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol?
2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol has a molecular weight of 363.97 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 142475201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).