4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile

C15H22N2 — CID 142079194

IUPAC4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile
SMILESC=CC=C(C=C)C1(C#N)CCN(CCC)CC1
InChIInChI=1S/C15H22N2/c1-4-7-14(6-3)15(13-16)8-11-17(10-5-2)12-9-15/h4,6-7H,1,3,5,8-12H2,2H3
InChIKeyUXQVNBKZTRHHNV-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.30
Rot. Bonds5

About 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile

4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile (PubChem CID 142079194) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile
PubChem CID142079194
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile
SMILESC=CC=C(C=C)C1(C#N)CCN(CCC)CC1
InChIInChI=1S/C15H22N2/c1-4-7-14(6-3)15(13-16)8-11-17(10-5-2)12-9-15/h4,6-7H,1,3,5,8-12H2,2H3
InChIKeyUXQVNBKZTRHHNV-UHFFFAOYSA-N
XLogP3.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile?
The IUPAC name of 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile (CID 142079194) is 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile?
The canonical SMILES for 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile is C=CC=C(C=C)C1(C#N)CCN(CCC)CC1.
What is the InChIKey of 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile?
The InChIKey is UXQVNBKZTRHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-7-14(6-3)15(13-16)8-11-17(10-5-2)12-9-15/h4,6-7H,1,3,5,8-12H2,2H3.
What are the key properties of 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile?
4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile has a molecular weight of 230.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3,5-trien-3-yl-1-propylpiperidine-4-carbonitrile is sourced from PubChem (CID 142079194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).