2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol

C24H33N3O2 — CID 78031242

IUPAC2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol
SMILESCCc1cnc(N2CCC(C3CC3COCc3ccc(CCO)cc3)CC2)nc1
InChIInChI=1S/C24H33N3O2/c1-2-18-14-25-24(26-15-18)27-10-7-21(8-11-27)23-13-22(23)17-29-16-20-5-3-19(4-6-20)9-12-28/h3-6,14-15,21-23,28H,2,7-13,16-17H2,1H3
InChIKeyFRISOKZAJFDYGH-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds9

About 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol

2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol (PubChem CID 78031242) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol
PubChem CID78031242
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol
SMILESCCc1cnc(N2CCC(C3CC3COCc3ccc(CCO)cc3)CC2)nc1
InChIInChI=1S/C24H33N3O2/c1-2-18-14-25-24(26-15-18)27-10-7-21(8-11-27)23-13-22(23)17-29-16-20-5-3-19(4-6-20)9-12-28/h3-6,14-15,21-23,28H,2,7-13,16-17H2,1H3
InChIKeyFRISOKZAJFDYGH-UHFFFAOYSA-N
XLogP3.64
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol with MolForge

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Related Compounds

5-cyclopropyl-2-[4-[(1R,2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 71136247
5-[4-[[(1R,2R)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]-3-fluorophenyl]pyrimidin-2-amine
CID 71136858
5-ethyl-2-[4-[(1R,2R)-2-[(2-fluoro-4-pyrimidin-4-ylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 90115920
2-[4-[(1R,2R)-2-[[3-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
CID 71116044
2-[4-[2-[(4-ethylsulfonyl-2-fluorophenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
CID 78012912
5-cyclopropyl-2-[4-[(1R,2R)-2-[(3,5-difluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 71136666
1-(azetidin-1-yl)-2-[6-[2-[(1S,2S)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]ethanone
CID 118272398
5-methyl-2-[4-[(1R,2R)-2-[(5-methylsulfonyl-2-pyridinyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
CID 71135257
[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methanol
CID 89484385
2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 124563475
2-[(2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 126694308
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol (CID 78031242) is 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol is CCc1cnc(N2CCC(C3CC3COCc3ccc(CCO)cc3)CC2)nc1.
What is the InChIKey of 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol?
The InChIKey is FRISOKZAJFDYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-18-14-25-24(26-15-18)27-10-7-21(8-11-27)23-13-22(23)17-29-16-20-5-3-19(4-6-20)9-12-28/h3-6,14-15,21-23,28H,2,7-13,16-17H2,1H3.
What are the key properties of 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol?
2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol has a molecular weight of 395.55 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]ethanol is sourced from PubChem (CID 78031242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).