formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine

C15H23N3O2 — CID 171149667

IUPACformic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine
SMILESCCCC=Cc1cc(N2CCCCC2)ncn1.O=CO
InChIInChI=1S/C14H21N3.CH2O2/c1-2-3-5-8-13-11-14(16-12-15-13)17-9-6-4-7-10-17;2-1-3/h5,8,11-12H,2-4,6-7,9-10H2,1H3;1H,(H,2,3)
InChIKeyFIDPVLOYZUCPJK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.98
Rot. Bonds4

About formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine

formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine (PubChem CID 171149667) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Nameformic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine
PubChem CID171149667
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameformic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine
SMILESCCCC=Cc1cc(N2CCCCC2)ncn1.O=CO
InChIInChI=1S/C14H21N3.CH2O2/c1-2-3-5-8-13-11-14(16-12-15-13)17-9-6-4-7-10-17;2-1-3/h5,8,11-12H,2-4,6-7,9-10H2,1H3;1H,(H,2,3)
InChIKeyFIDPVLOYZUCPJK-UHFFFAOYSA-N
XLogP2.98
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formic acid;4-[(E)-pent-1-enyl]-6-piperidin-1-ylpyrimidine
CID 154904902
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479391
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
4-methyl-2-[(E)-pent-1-enyl]pyridine
CID 59772955
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345763

Frequently Asked Questions

What is the IUPAC name of formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine?
The IUPAC name of formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine (CID 171149667) is formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine?
The canonical SMILES for formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine is CCCC=Cc1cc(N2CCCCC2)ncn1.O=CO.
What is the InChIKey of formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine?
The InChIKey is FIDPVLOYZUCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.CH2O2/c1-2-3-5-8-13-11-14(16-12-15-13)17-9-6-4-7-10-17;2-1-3/h5,8,11-12H,2-4,6-7,9-10H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine?
formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine has a molecular weight of 277.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 171149667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).