4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine

C19H31N — CID 145432379

IUPAC4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine
SMILESC=C(C)/C(C)=C(C(/C)=C/C(=C)C1CCNCC1)\C(C)C
InChIInChI=1S/C19H31N/c1-13(2)17(7)19(14(3)4)16(6)12-15(5)18-8-10-20-11-9-18/h12,14,18,20H,1,5,8-11H2,2-4,6-7H3/b16-12+,19-17+
InChIKeyFUXWOHPIQZYRIP-KZDRZIDVSA-N
MW273.46 g/mol
LogP5.04
Rot. Bonds5

About 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine

4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine (PubChem CID 145432379) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine.

Molecular Properties

Compound Name4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine
PubChem CID145432379
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine
SMILESC=C(C)/C(C)=C(C(/C)=C/C(=C)C1CCNCC1)\C(C)C
InChIInChI=1S/C19H31N/c1-13(2)17(7)19(14(3)4)16(6)12-15(5)18-8-10-20-11-9-18/h12,14,18,20H,1,5,8-11H2,2-4,6-7H3/b16-12+,19-17+
InChIKeyFUXWOHPIQZYRIP-KZDRZIDVSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine with MolForge

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Related Compounds

4-[(3E)-4,5-dimethylhexa-1,3,5-trien-2-yl]-1-(piperidin-4-ylmethyl)piperidine;ethane;propane
CID 177364241
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
4-prop-1-en-2-ylazepane
CID 83262018
(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine
CID 144740222
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
CID 178093909
1-piperidin-4-ylethanone
CID 2723764
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine;ethene
CID 178093908
propan-2-yl 2-oxo-2-piperidin-4-ylacetate
CID 69175574

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine?
The IUPAC name of 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine (CID 145432379) is 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine.
What is the SMILES notation for 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine?
The canonical SMILES for 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine is C=C(C)/C(C)=C(C(/C)=C/C(=C)C1CCNCC1)\C(C)C.
What is the InChIKey of 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine?
The InChIKey is FUXWOHPIQZYRIP-KZDRZIDVSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)17(7)19(14(3)4)16(6)12-15(5)18-8-10-20-11-9-18/h12,14,18,20H,1,5,8-11H2,2-4,6-7H3/b16-12+,19-17+.
What are the key properties of 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine?
4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-4,6,7-trimethyl-5-propan-2-ylocta-1,3,5,7-tetraen-2-yl]piperidine is sourced from PubChem (CID 145432379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).