2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol

C19H35NO — CID 143524620

IUPAC2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol
SMILESCCC(C)C(C)C(O)N1CCC(C2C=CC(C)CC2)CC1
InChIInChI=1S/C19H35NO/c1-5-15(3)16(4)19(21)20-12-10-18(11-13-20)17-8-6-14(2)7-9-17/h6,8,14-19,21H,5,7,9-13H2,1-4H3
InChIKeyFTQPQQCMVBQAQF-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.30
Rot. Bonds5

About 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol

2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol (PubChem CID 143524620) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol
PubChem CID143524620
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol
SMILESCCC(C)C(C)C(O)N1CCC(C2C=CC(C)CC2)CC1
InChIInChI=1S/C19H35NO/c1-5-15(3)16(4)19(21)20-12-10-18(11-13-20)17-8-6-14(2)7-9-17/h6,8,14-19,21H,5,7,9-13H2,1-4H3
InChIKeyFTQPQQCMVBQAQF-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol?
The IUPAC name of 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol (CID 143524620) is 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol is CCC(C)C(C)C(O)N1CCC(C2C=CC(C)CC2)CC1.
What is the InChIKey of 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol?
The InChIKey is FTQPQQCMVBQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-15(3)16(4)19(21)20-12-10-18(11-13-20)17-8-6-14(2)7-9-17/h6,8,14-19,21H,5,7,9-13H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol?
2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 143524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).