(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine

C20H26FN3O — CID 95718011

IUPAC(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCn1ncc(CN2CCC[C@H](COc3ccccc3F)C2)c1C1CC1
InChIInChI=1S/C20H26FN3O/c1-23-20(16-8-9-16)17(11-22-23)13-24-10-4-5-15(12-24)14-25-19-7-3-2-6-18(19)21/h2-3,6-7,11,15-16H,4-5,8-10,12-14H2,1H3/t15-/m0/s1
InChIKeyKOAGHIMUMBPDMO-HNNXBMFYSA-N
MW343.45 g/mol
LogP3.73
Rot. Bonds6

About (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine

(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine (PubChem CID 95718011) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
PubChem CID95718011
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCn1ncc(CN2CCC[C@H](COc3ccccc3F)C2)c1C1CC1
InChIInChI=1S/C20H26FN3O/c1-23-20(16-8-9-16)17(11-22-23)13-24-10-4-5-15(12-24)14-25-19-7-3-2-6-18(19)21/h2-3,6-7,11,15-16H,4-5,8-10,12-14H2,1H3/t15-/m0/s1
InChIKeyKOAGHIMUMBPDMO-HNNXBMFYSA-N
XLogP3.73
TPSA30.29 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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 131940472
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
[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
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 56881894
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
5-[[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95131164

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine (CID 95718011) is (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine is Cn1ncc(CN2CCC[C@H](COc3ccccc3F)C2)c1C1CC1.
What is the InChIKey of (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
The InChIKey is KOAGHIMUMBPDMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23-20(16-8-9-16)17(11-22-23)13-24-10-4-5-15(12-24)14-25-19-7-3-2-6-18(19)21/h2-3,6-7,11,15-16H,4-5,8-10,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine?
(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine has a molecular weight of 343.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 95718011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).