1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine

C11H16N2 — CID 59886144

IUPAC1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
SMILES[C-]#[N+]/C(C)=C\C=C/N1CCCCC1
InChIInChI=1S/C11H16N2/c1-11(12-2)7-6-10-13-8-4-3-5-9-13/h6-7,10H,3-5,8-9H2,1H3/b10-6-,11-7-
InChIKeyMXSFFMYWCWUZDC-SQXCDDPUSA-N
MW176.26 g/mol
LogP2.81
Rot. Bonds2

About 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine

1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine (PubChem CID 59886144) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
PubChem CID59886144
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine
SMILES[C-]#[N+]/C(C)=C\C=C/N1CCCCC1
InChIInChI=1S/C11H16N2/c1-11(12-2)7-6-10-13-8-4-3-5-9-13/h6-7,10H,3-5,8-9H2,1H3/b10-6-,11-7-
InChIKeyMXSFFMYWCWUZDC-SQXCDDPUSA-N
XLogP2.81
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-4-(dimethylamino)pyridine
CID 23048244
N-pentyl-4-pyrrolidinopyridine
CID 132277510
1-(1-Ethylpiperidin-4-yl)-3-fluoroazepine
CID 174423793
Piperidine, 1-[4-methyl-1,3-pentadien-1-yl]-
CID 91711582
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-[(E)-but-2-en-2-yl]piperidine
CID 20221266
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
N,N-dimethyl-1-octyl-2H-pyridin-4-amine
CID 23048236
1-But-2-en-2-ylpiperidine
CID 54314461
6-methyl-1-pentyl-2H-pyridine
CID 54491275
1-Penta-2,4-dien-2-ylpiperidine
CID 57091192
1-pentyl-2H-pyridin-4-amine
CID 67896761

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine (CID 59886144) is 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine is [C-]#[N+]/C(C)=C\C=C/N1CCCCC1.
What is the InChIKey of 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine?
The InChIKey is MXSFFMYWCWUZDC-SQXCDDPUSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(12-2)7-6-10-13-8-4-3-5-9-13/h6-7,10H,3-5,8-9H2,1H3/b10-6-,11-7-.
What are the key properties of 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine?
1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine has a molecular weight of 176.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-4-isocyanopenta-1,3-dienyl]piperidine is sourced from PubChem (CID 59886144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).