1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine

C15H26N2 — CID 90923690

IUPAC1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine
SMILESC=CC=C(C=CC)C(N)CCN1CCCCC1
InChIInChI=1S/C15H26N2/c1-3-8-14(9-4-2)15(16)10-13-17-11-6-5-7-12-17/h3-4,8-9,15H,1,5-7,10-13,16H2,2H3
InChIKeyFVSIHQUKMWGDJP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds6

About 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine

1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine (PubChem CID 90923690) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine
PubChem CID90923690
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine
SMILESC=CC=C(C=CC)C(N)CCN1CCCCC1
InChIInChI=1S/C15H26N2/c1-3-8-14(9-4-2)15(16)10-13-17-11-6-5-7-12-17/h3-4,8-9,15H,1,5-7,10-13,16H2,2H3
InChIKeyFVSIHQUKMWGDJP-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
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

(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine?
The IUPAC name of 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine (CID 90923690) is 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine.
What is the SMILES notation for 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine?
The canonical SMILES for 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine is C=CC=C(C=CC)C(N)CCN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine?
The InChIKey is FVSIHQUKMWGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-8-14(9-4-2)15(16)10-13-17-11-6-5-7-12-17/h3-4,8-9,15H,1,5-7,10-13,16H2,2H3.
What are the key properties of 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine?
1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine is sourced from PubChem (CID 90923690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).