N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine

C19H26N2 — CID 143961031

IUPACN-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine
SMILESC=C(C(=C/C)/N=C/C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2/c1-4-19(20-5-2)16(3)21-13-11-18(12-14-21)15-17-9-7-6-8-10-17/h4-10,18H,3,11-15H2,1-2H3/b19-4-,20-5+
InChIKeyCDOIPUIBFMHERR-RULKVFSWSA-N
MW282.43 g/mol
LogP4.45
Rot. Bonds5

About N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine

N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine (PubChem CID 143961031) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine
PubChem CID143961031
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine
SMILESC=C(C(=C/C)/N=C/C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2/c1-4-19(20-5-2)16(3)21-13-11-18(12-14-21)15-17-9-7-6-8-10-17/h4-10,18H,3,11-15H2,1-2H3/b19-4-,20-5+
InChIKeyCDOIPUIBFMHERR-RULKVFSWSA-N
XLogP4.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.45
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'}

Analyze N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine with MolForge

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Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-1-carboximidamide
CID 2943620
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
4-benzyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 19654179
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(1S,2R,3R,4R)-3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 756892
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
3-benzyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724782
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine?
The IUPAC name of N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine (CID 143961031) is N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine?
The canonical SMILES for N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine is C=C(C(=C/C)/N=C/C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine?
The InChIKey is CDOIPUIBFMHERR-RULKVFSWSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-19(20-5-2)16(3)21-13-11-18(12-14-21)15-17-9-7-6-8-10-17/h4-10,18H,3,11-15H2,1-2H3/b19-4-,20-5+.
What are the key properties of N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine?
N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine has a molecular weight of 282.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-(4-benzylpiperidin-1-yl)penta-1,3-dien-3-yl]ethanimine is sourced from PubChem (CID 143961031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).