1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine

C19H31N — CID 129269097

IUPAC1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine
SMILESC=C(C(C)C)N1CCC(C(/C=C\C=C/C)=C\CC)CC1
InChIInChI=1S/C19H31N/c1-6-8-9-11-18(10-7-2)19-12-14-20(15-13-19)17(5)16(3)4/h6,8-11,16,19H,5,7,12-15H2,1-4H3/b8-6-,11-9-,18-10-
InChIKeyVHTYQIYGBIFMBL-OPIXTJMFSA-N
MW273.46 g/mol
LogP5.34
Rot. Bonds6

About 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine

1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine (PubChem CID 129269097) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine
PubChem CID129269097
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine
SMILESC=C(C(C)C)N1CCC(C(/C=C\C=C/C)=C\CC)CC1
InChIInChI=1S/C19H31N/c1-6-8-9-11-18(10-7-2)19-12-14-20(15-13-19)17(5)16(3)4/h6,8-11,16,19H,5,7,12-15H2,1-4H3/b8-6-,11-9-,18-10-
InChIKeyVHTYQIYGBIFMBL-OPIXTJMFSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine (CID 129269097) is 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine is C=C(C(C)C)N1CCC(C(/C=C\C=C/C)=C\CC)CC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine?
The InChIKey is VHTYQIYGBIFMBL-OPIXTJMFSA-N. The full InChI is InChI=1S/C19H31N/c1-6-8-9-11-18(10-7-2)19-12-14-20(15-13-19)17(5)16(3)4/h6,8-11,16,19H,5,7,12-15H2,1-4H3/b8-6-,11-9-,18-10-.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine?
1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-4-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]piperidine is sourced from PubChem (CID 129269097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).