(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine

C18H24FN3O — CID 95891510

IUPAC(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCC[C@@H](COc3ccccc3F)C2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-5-6-15(11-21)14-23-18-8-4-3-7-17(18)19/h3-4,7-8,10,13,15H,2,5-6,9,11-12,14H2,1H3/t15-/m1/s1
InChIKeyAQCHUXVZSMTDJB-OAHLLOKOSA-N
MW317.41 g/mol
LogP3.33
Rot. Bonds6

About (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine

(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine (PubChem CID 95891510) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
PubChem CID95891510
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCC[C@@H](COc3ccccc3F)C2)cn1
InChIInChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-5-6-15(11-21)14-23-18-8-4-3-7-17(18)19/h3-4,7-8,10,13,15H,2,5-6,9,11-12,14H2,1H3/t15-/m1/s1
InChIKeyAQCHUXVZSMTDJB-OAHLLOKOSA-N
XLogP3.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95718011
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 131940472
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
5-[[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131164
5-[[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131163
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45169937

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine (CID 95891510) is (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine is CCn1cc(CN2CCC[C@@H](COc3ccccc3F)C2)cn1.
What is the InChIKey of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The InChIKey is AQCHUXVZSMTDJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-22-13-16(10-20-22)12-21-9-5-6-15(11-21)14-23-18-8-4-3-7-17(18)19/h3-4,7-8,10,13,15H,2,5-6,9,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 95891510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).