4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol

C14H22ClNO — CID 129166611

IUPAC4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol
SMILESC=C/C=C(Cl)\C=C/CC1(O)C(C)CNCC1C
InChIInChI=1S/C14H22ClNO/c1-4-6-13(15)7-5-8-14(17)11(2)9-16-10-12(14)3/h4-7,11-12,16-17H,1,8-10H2,2-3H3/b7-5-,13-6+
InChIKeyDBHSTEWHYDPHRJ-IILXRZLBSA-N
MW255.79 g/mol
LogP2.85
Rot. Bonds4

About 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol

4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol (PubChem CID 129166611) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol
PubChem CID129166611
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol
SMILESC=C/C=C(Cl)\C=C/CC1(O)C(C)CNCC1C
InChIInChI=1S/C14H22ClNO/c1-4-6-13(15)7-5-8-14(17)11(2)9-16-10-12(14)3/h4-7,11-12,16-17H,1,8-10H2,2-3H3/b7-5-,13-6+
InChIKeyDBHSTEWHYDPHRJ-IILXRZLBSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol?
The IUPAC name of 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol (CID 129166611) is 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol is C=C/C=C(Cl)\C=C/CC1(O)C(C)CNCC1C.
What is the InChIKey of 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol?
The InChIKey is DBHSTEWHYDPHRJ-IILXRZLBSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-13(15)7-5-8-14(17)11(2)9-16-10-12(14)3/h4-7,11-12,16-17H,1,8-10H2,2-3H3/b7-5-,13-6+.
What are the key properties of 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol?
4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol has a molecular weight of 255.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-4-chlorohepta-2,4,6-trienyl]-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 129166611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).