2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine

C16H20FN3 — CID 115053619

IUPAC2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
SMILESCn1ncc(-c2ccc(F)cc2)c1CC1CCCCN1
InChIInChI=1S/C16H20FN3/c1-20-16(10-14-4-2-3-9-18-14)15(11-19-20)12-5-7-13(17)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyNJMQDBVPAPKECF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.91
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine

2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine (PubChem CID 115053619) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
PubChem CID115053619
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
SMILESCn1ncc(-c2ccc(F)cc2)c1CC1CCCCN1
InChIInChI=1S/C16H20FN3/c1-20-16(10-14-4-2-3-9-18-14)15(11-19-20)12-5-7-13(17)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3
InChIKeyNJMQDBVPAPKECF-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053737
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
4-(4-fluorophenyl)-1-methylpyrazole-5-carbonitrile
CID 11521273
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine (CID 115053619) is 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine is Cn1ncc(-c2ccc(F)cc2)c1CC1CCCCN1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine?
The InChIKey is NJMQDBVPAPKECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-20-16(10-14-4-2-3-9-18-14)15(11-19-20)12-5-7-13(17)8-6-12/h5-8,11,14,18H,2-4,9-10H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine?
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine has a molecular weight of 273.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 115053619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).