4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine

C18H21F2N3O — CID 97063194

IUPAC4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)n1
InChIInChI=1S/C18H21F2N3O/c1-24-12-18-21-7-6-17(22-18)13-3-2-8-23(10-13)11-14-9-15(19)4-5-16(14)20/h4-7,9,13H,2-3,8,10-12H2,1H3/t13-/m1/s1
InChIKeyMRSSBYHGDWDMAR-CYBMUJFWSA-N
MW333.38 g/mol
LogP3.28
Rot. Bonds5

About 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine

4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine (PubChem CID 97063194) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
PubChem CID97063194
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)n1
InChIInChI=1S/C18H21F2N3O/c1-24-12-18-21-7-6-17(22-18)13-3-2-8-23(10-13)11-14-9-15(19)4-5-16(14)20/h4-7,9,13H,2-3,8,10-12H2,1H3/t13-/m1/s1
InChIKeyMRSSBYHGDWDMAR-CYBMUJFWSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765806
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784
2-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869629
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidine
CID 110096175
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063222

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine (CID 97063194) is 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine is COCc1nccc([C@@H]2CCCN(Cc3cc(F)ccc3F)C2)n1.
What is the InChIKey of 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The InChIKey is MRSSBYHGDWDMAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-24-12-18-21-7-6-17(22-18)13-3-2-8-23(10-13)11-14-9-15(19)4-5-16(14)20/h4-7,9,13H,2-3,8,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine has a molecular weight of 333.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 97063194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).