1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine

C16H27N — CID 167040083

IUPAC1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine
SMILESC/C=C\C=C/C(=C\CCC)N1CCC(C)CC1
InChIInChI=1S/C16H27N/c1-4-6-8-10-16(9-7-5-2)17-13-11-15(3)12-14-17/h4,6,8-10,15H,5,7,11-14H2,1-3H3/b6-4-,10-8-,16-9+
InChIKeyKNJIHWPJWZWDFS-BLXCLCQSSA-N
MW233.40 g/mol
LogP4.53
Rot. Bonds5

About 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine

1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine (PubChem CID 167040083) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine
PubChem CID167040083
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine
SMILESC/C=C\C=C/C(=C\CCC)N1CCC(C)CC1
InChIInChI=1S/C16H27N/c1-4-6-8-10-16(9-7-5-2)17-13-11-15(3)12-14-17/h4,6,8-10,15H,5,7,11-14H2,1-3H3/b6-4-,10-8-,16-9+
InChIKeyKNJIHWPJWZWDFS-BLXCLCQSSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.53
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-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine?
The IUPAC name of 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine (CID 167040083) is 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine?
The canonical SMILES for 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine is C/C=C\C=C/C(=C\CCC)N1CCC(C)CC1.
What is the InChIKey of 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine?
The InChIKey is KNJIHWPJWZWDFS-BLXCLCQSSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-8-10-16(9-7-5-2)17-13-11-15(3)12-14-17/h4,6,8-10,15H,5,7,11-14H2,1-3H3/b6-4-,10-8-,16-9+.
What are the key properties of 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine?
1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine has a molecular weight of 233.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6Z,8Z)-deca-4,6,8-trien-5-yl]-4-methylpiperidine is sourced from PubChem (CID 167040083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).