2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine

C16H22N4O — CID 142711209

IUPAC2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(OC3=CCNC=C3)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-2-13-11-18-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-17-8-4-14/h3-4,7,11-12,15,17H,2,5-6,8-10H2,1H3
InChIKeyYYVSJWLXKFHKCF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine

2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine (PubChem CID 142711209) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
PubChem CID142711209
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(OC3=CCNC=C3)CC2)nc1
InChIInChI=1S/C16H22N4O/c1-2-13-11-18-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-17-8-4-14/h3-4,7,11-12,15,17H,2,5-6,8-10H2,1H3
InChIKeyYYVSJWLXKFHKCF-UHFFFAOYSA-N
XLogP2.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
2-[4-[4-(2,6-dimethyl-3-pyridinyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine
CID 91395356
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
(7aR)-2-(5-ethylpyrimidin-2-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine
CID 66837618
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
N-[[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-3-pyridinyl]methyl]-2,6-dimethylpyridin-3-amine
CID 91615853
4-[[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]methyl]-N-methylpiperazin-1-amine
CID 143877131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine (CID 142711209) is 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CCC(OC3=CCNC=C3)CC2)nc1.
What is the InChIKey of 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is YYVSJWLXKFHKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-13-11-18-16(19-12-13)20-9-5-15(6-10-20)21-14-3-7-17-8-4-14/h3-4,7,11-12,15,17H,2,5-6,8-10H2,1H3.
What are the key properties of 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine?
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 286.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 142711209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).