5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol

C19H31NO — CID 123767571

IUPAC5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol
SMILESCCC(=CC=C(C)CO)C=C1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H31NO/c1-3-17(9-8-16(2)15-21)14-18-10-12-20(13-11-18)19-6-4-5-7-19/h8-9,14,19,21H,3-7,10-13,15H2,1-2H3
InChIKeyBPXKMMDOPBPOSI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.23
Rot. Bonds5

About 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol

5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol (PubChem CID 123767571) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol
PubChem CID123767571
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol
SMILESCCC(=CC=C(C)CO)C=C1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H31NO/c1-3-17(9-8-16(2)15-21)14-18-10-12-20(13-11-18)19-6-4-5-7-19/h8-9,14,19,21H,3-7,10-13,15H2,1-2H3
InChIKeyBPXKMMDOPBPOSI-UHFFFAOYSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(1,2-dimethylpiperidin-4-ylidene)ethanol
CID 132157774
(1Z)-1-(1,2-dimethylpiperidin-4-ylidene)propan-2-ol
CID 103971047
1-(1-Propan-2-ylpiperidin-4-ylidene)propan-2-ol
CID 103971228
2-Methyl-4-(piperidin-1-yl)pent-2-en-1-ol
CID 130127322
(Z)-2-methyl-4-piperidin-1-ylpent-2-en-1-ol
CID 131421383

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol?
The IUPAC name of 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol (CID 123767571) is 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol.
What is the SMILES notation for 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol?
The canonical SMILES for 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol is CCC(=CC=C(C)CO)C=C1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol?
The InChIKey is BPXKMMDOPBPOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-17(9-8-16(2)15-21)14-18-10-12-20(13-11-18)19-6-4-5-7-19/h8-9,14,19,21H,3-7,10-13,15H2,1-2H3.
What are the key properties of 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol?
5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentylpiperidin-4-ylidene)methyl]-2-methylhepta-2,4-dien-1-ol is sourced from PubChem (CID 123767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).