N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine

C10H16N2 — CID 144753254

IUPACN-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCCCC1
InChIInChI=1S/C10H16N2/c1-3-7-10(11-2)12-8-5-4-6-9-12/h3,7H,1-2,4-6,8-9H2/b10-7+
InChIKeyYOSFDOVIAQZHDM-JXMROGBWSA-N
MW164.25 g/mol
LogP2.20
Rot. Bonds3

About N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine

N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine (PubChem CID 144753254) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
PubChem CID144753254
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
SMILESC=C/C=C(\N=C)N1CCCCC1
InChIInChI=1S/C10H16N2/c1-3-7-10(11-2)12-8-5-4-6-9-12/h3,7H,1-2,4-6,8-9H2/b10-7+
InChIKeyYOSFDOVIAQZHDM-JXMROGBWSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 91333878
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine;propane
CID 143028537
N-[(1Z,3Z)-1-piperidin-1-ylpenta-1,3-dienyl]methanimine
CID 144281614
butane;N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145613960
ethane;N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145614084
N-[(Z)-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156727096
N-[(1Z)-1-(4-ethylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699174
N-[(1Z)-1-(4-propan-2-ylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 176699288
N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide
CID 178176194
N-[(1Z)-1-(4-methylpiperidin-1-yl)buta-1,3-dienyl]methanimine
CID 143028538
N-[(1Z)-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]buta-1,3-dienyl]methanimine
CID 143649081
N-[(1Z)-2-methyl-1-piperidin-1-ylbuta-1,3-dienyl]methanimine
CID 145613961

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine (CID 144753254) is N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine is C=C/C=C(\N=C)N1CCCCC1.
What is the InChIKey of N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine?
The InChIKey is YOSFDOVIAQZHDM-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-7-10(11-2)12-8-5-4-6-9-12/h3,7H,1-2,4-6,8-9H2/b10-7+.
What are the key properties of N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine?
N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-piperidin-1-ylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144753254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).