1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C12H20N2 — CID 143234347

IUPAC1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-8-13-12(5-2)14-9-6-11(3)7-10-14/h4-5,8,11H,2,6-7,9-10H2,1,3H3/b8-4-,13-12+
InChIKeyDJNQBAVHSZGKRV-ZQGSCZMJSA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 143234347) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID143234347
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C/C(=N\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C12H20N2/c1-4-8-13-12(5-2)14-9-6-11(3)7-10-14/h4-5,8,11H,2,6-7,9-10H2,1,3H3/b8-4-,13-12+
InChIKeyDJNQBAVHSZGKRV-ZQGSCZMJSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine
CID 89192319
(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine
CID 89344683
1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine
CID 118544356
N-ethenyl-1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]prop-2-en-1-imine
CID 123697997
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
CID 137413297
ethane;N-ethylidene-1-methyl-N'-[(Z)-prop-1-enyl]piperidine-4-carboximidamide
CID 141911179
(Z)-N-ethenyl-1-(4-methylpiperidin-1-yl)but-2-en-1-imine
CID 142368516
5-(4-ethenylpiperidin-1-yl)-2,3-dimethyl-4H-pyrimidine
CID 143519239
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]-4H-pyrimidine
CID 144108449
ethane;(Z)-N-ethenyl-1-piperidin-1-ylbut-2-en-1-imine
CID 145149515
1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine
CID 155207248
(Z)-1-(6-azaspiro[2.5]octan-6-yl)-N-ethenylbut-2-en-1-imine
CID 155781436

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 143234347) is 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C/C(=N\C=C/C)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is DJNQBAVHSZGKRV-ZQGSCZMJSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-8-13-12(5-2)14-9-6-11(3)7-10-14/h4-5,8,11H,2,6-7,9-10H2,1,3H3/b8-4-,13-12+.
What are the key properties of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 143234347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).