4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine

C14H21N3 — CID 123256021

IUPAC4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\cc(C)c(C2CCNCC2)cn1C(=C)C
InChIInChI=1S/C14H21N3/c1-10(2)17-9-13(11(3)8-14(17)15)12-4-6-16-7-5-12/h8-9,12,15-16H,1,4-7H2,2-3H3/b15-14+
InChIKeyRLYJPVPOGBWPGN-CCEZHUSRSA-N
MW231.34 g/mol
LogP2.23
Rot. Bonds2

About 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine

4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine (PubChem CID 123256021) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
PubChem CID123256021
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\cc(C)c(C2CCNCC2)cn1C(=C)C
InChIInChI=1S/C14H21N3/c1-10(2)17-9-13(11(3)8-14(17)15)12-4-6-16-7-5-12/h8-9,12,15-16H,1,4-7H2,2-3H3/b15-14+
InChIKeyRLYJPVPOGBWPGN-CCEZHUSRSA-N
XLogP2.23
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-[(2E)-1-[N-but-1-en-2-yl-C-[(E)-1-fluoroprop-1-enyl]carbonimidoyl]-2-(3-methylbutylidene)-4-piperidin-4-ylpyrrol-3-ylidene]methanamine
CID 146504423
1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine
CID 163385841
1-Hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine
CID 21388036
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
(3Z)-4-[1-[1-(2,3-dihydro-1H-pyrrol-3-yl)ethenyl]piperidin-4-yl]-3-ethylidene-1-heptan-4-ylpyrrol-2-imine
CID 142354944
Methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
CID 142583905
1-Methanimidoyl-4-piperidin-4-ylpyridin-2-imine
CID 143982772
Ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872610
1-Methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872611
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2-methylcyclopentan-1-amine
CID 163276634
(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine
CID 167047775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine?
The IUPAC name of 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine (CID 123256021) is 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine is [H]/N=c1\cc(C)c(C2CCNCC2)cn1C(=C)C.
What is the InChIKey of 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine?
The InChIKey is RLYJPVPOGBWPGN-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)17-9-13(11(3)8-14(17)15)12-4-6-16-7-5-12/h8-9,12,15-16H,1,4-7H2,2-3H3/b15-14+.
What are the key properties of 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine?
4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine has a molecular weight of 231.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 123256021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).