4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine

C13H21NO — CID 89134703

IUPAC4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine
SMILESC=C/C=C\C(OC1CCNCC1)=C(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-13(11(2)3)15-12-7-9-14-10-8-12/h4-6,12,14H,1,7-10H2,2-3H3/b6-5-
InChIKeyBCDBVBGFNBMEGG-WAYWQWQTSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds4

About 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine

4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine (PubChem CID 89134703) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine
PubChem CID89134703
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine
SMILESC=C/C=C\C(OC1CCNCC1)=C(C)C
InChIInChI=1S/C13H21NO/c1-4-5-6-13(11(2)3)15-12-7-9-14-10-8-12/h4-6,12,14H,1,7-10H2,2-3H3/b6-5-
InChIKeyBCDBVBGFNBMEGG-WAYWQWQTSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]oxypiperidine
CID 177019948
4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxypiperidine
CID 143792191
4-(2-Methylallyloxy)piperidine
CID 26191682
4-[(E)-but-2-enoxy]piperidine
CID 43346316
4-[(E)-but-2-enoxy]piperidine;hydrochloride
CID 69523703
4-But-2-enoxypiperidine;hydrochloride
CID 69523705
4-But-2-enoxypiperidine
CID 69523706
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
(1Z,3E)-3-piperidin-4-yloxyhexa-1,3,5-trien-1-amine
CID 89034933
4-[(3Z,5E)-hepta-1,3,5-trien-2-yl]oxypiperidine
CID 89211368
4-(3-Methylbuta-1,3-dien-2-yloxy)piperidine
CID 89594192

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine?
The IUPAC name of 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine (CID 89134703) is 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine.
What is the SMILES notation for 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine?
The canonical SMILES for 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine is C=C/C=C\C(OC1CCNCC1)=C(C)C.
What is the InChIKey of 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine?
The InChIKey is BCDBVBGFNBMEGG-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-6-13(11(2)3)15-12-7-9-14-10-8-12/h4-6,12,14H,1,7-10H2,2-3H3/b6-5-.
What are the key properties of 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine?
4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxypiperidine is sourced from PubChem (CID 89134703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).