4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

C20H26FN3O — CID 56890608

IUPAC4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CCCC(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H26FN3O/c1-15(2)20-22-10-9-18(23-20)13-24-11-3-4-16(12-24)14-25-19-7-5-17(21)6-8-19/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyOQIAMWKSUQVCSU-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.03
Rot. Bonds6

About 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine

4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 56890608) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID56890608
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(CN2CCCC(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H26FN3O/c1-15(2)20-22-10-9-18(23-20)13-24-11-3-4-16(12-24)14-25-19-7-5-17(21)6-8-19/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyOQIAMWKSUQVCSU-UHFFFAOYSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 95550630
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
N-[[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95209422
4-[[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 95719824
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
CID 19763371
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
2-[5-[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126447477
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 56890608) is 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(CN2CCCC(COc3ccc(F)cc3)C2)n1.
What is the InChIKey of 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is OQIAMWKSUQVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15(2)20-22-10-9-18(23-20)13-24-11-3-4-16(12-24)14-25-19-7-5-17(21)6-8-19/h5-10,15-16H,3-4,11-14H2,1-2H3.
What are the key properties of 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine?
4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 343.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56890608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).