1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol

C14H23NO — CID 143658534

IUPAC1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(CC)CC1
InChIInChI=1S/C14H23NO/c1-4-7-13(8-5-2)14(16)9-11-15(6-3)12-10-14/h4-5,7-8,16H,1,6,9-12H2,2-3H3/b8-5-,13-7+
InChIKeyYHPVRHKPWRFNRO-AXBOXZAGSA-N
MW221.34 g/mol
LogP2.52
Rot. Bonds4

About 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol

1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol (PubChem CID 143658534) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol
PubChem CID143658534
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(CC)CC1
InChIInChI=1S/C14H23NO/c1-4-7-13(8-5-2)14(16)9-11-15(6-3)12-10-14/h4-5,7-8,16H,1,6,9-12H2,2-3H3/b8-5-,13-7+
InChIKeyYHPVRHKPWRFNRO-AXBOXZAGSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.52
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

4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
CID 144699610
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
4-[(2Z,4E)-2-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]-1-(4-methylpent-4-enyl)piperidin-4-ol
CID 141880083
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-Hydroxy-4-(dimethylamino-ethyl)-3,5-dimethyl-2,5-heptadiene
CID 54506043
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol (CID 143658534) is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol is C=C/C=C(\C=C/C)C1(O)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol?
The InChIKey is YHPVRHKPWRFNRO-AXBOXZAGSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-13(8-5-2)14(16)9-11-15(6-3)12-10-14/h4-5,7-8,16H,1,6,9-12H2,2-3H3/b8-5-,13-7+.
What are the key properties of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol?
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-ol is sourced from PubChem (CID 143658534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).