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

C19H31N — CID 166981367

IUPAC4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine
SMILESC=C/C(=C\C=C(/C=C)N1CCC(C(C)C)CC1)C(C)C
InChIInChI=1S/C19H31N/c1-7-17(15(3)4)9-10-19(8-2)20-13-11-18(12-14-20)16(5)6/h7-10,15-16,18H,1-2,11-14H2,3-6H3/b17-9+,19-10+
InChIKeyGCGIQZZVOJWKOQ-LVOXPBLISA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds6

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

4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine (PubChem CID 166981367) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine
PubChem CID166981367
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine
SMILESC=C/C(=C\C=C(/C=C)N1CCC(C(C)C)CC1)C(C)C
InChIInChI=1S/C19H31N/c1-7-17(15(3)4)9-10-19(8-2)20-13-11-18(12-14-20)16(5)6/h7-10,15-16,18H,1-2,11-14H2,3-6H3/b17-9+,19-10+
InChIKeyGCGIQZZVOJWKOQ-LVOXPBLISA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Related Compounds

4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
CID 176552593
(2E,4Z)-2-ethenyl-1-(4-methylpiperazin-1-yl)-5-propan-2-ylhepta-2,4,6-trien-1-one
CID 156877867
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(3R)-1-buta-1,3-dien-2-yl-3-propan-2-ylazepane
CID 164736264
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine
CID 123619556
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine (CID 166981367) is 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine is C=C/C(=C\C=C(/C=C)N1CCC(C(C)C)CC1)C(C)C.
What is the InChIKey of 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine?
The InChIKey is GCGIQZZVOJWKOQ-LVOXPBLISA-N. The full InChI is InChI=1S/C19H31N/c1-7-17(15(3)4)9-10-19(8-2)20-13-11-18(12-14-20)16(5)6/h7-10,15-16,18H,1-2,11-14H2,3-6H3/b17-9+,19-10+.
What are the key properties of 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine?
4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine is sourced from PubChem (CID 166981367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).