1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine

C14H21N3 — CID 123286517

IUPAC1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(C2CCNCC2)cn1C(=C)CC
InChIInChI=1S/C14H21N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-5,10,12,15-16H,2-3,6-9H2,1H3/b15-14+
InChIKeyXTCQRFOBCGRUOU-CCEZHUSRSA-N
MW231.34 g/mol
LogP2.32
Rot. Bonds3

About 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine

1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine (PubChem CID 123286517) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
PubChem CID123286517
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(C2CCNCC2)cn1C(=C)CC
InChIInChI=1S/C14H21N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-5,10,12,15-16H,2-3,6-9H2,1H3/b15-14+
InChIKeyXTCQRFOBCGRUOU-CCEZHUSRSA-N
XLogP2.32
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-5-[(4-fluoropiperidin-4-yl)methyl]-N-methylpyridin-2-imine
CID 163385841
N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
1-Hydroxy-6-methyl-3-piperidin-4-ylpyridin-2-imine
CID 21388036
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine
CID 139332598
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511249
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349
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

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine?
The IUPAC name of 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine (CID 123286517) is 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine.
What is the SMILES notation for 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine?
The canonical SMILES for 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine is [H]/N=c1\ccc(C2CCNCC2)cn1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine?
The InChIKey is XTCQRFOBCGRUOU-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-5,10,12,15-16H,2-3,6-9H2,1H3/b15-14+.
What are the key properties of 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine?
1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine has a molecular weight of 231.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine is sourced from PubChem (CID 123286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).