1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C19H24FN3O2 — CID 56895010

IUPAC1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-14(2)17-7-10-23(21-17)19(18(24)25)8-11-22(12-9-19)13-15-3-5-16(20)6-4-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,24,25)
InChIKeyVHKDPGCERYZVAT-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.22
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56895010) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56895010
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN3O2/c1-14(2)17-7-10-23(21-17)19(18(24)25)8-11-22(12-9-19)13-15-3-5-16(20)6-4-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,24,25)
InChIKeyVHKDPGCERYZVAT-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropanoic acid
CID 82323016
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 56887803
1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56887637
1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95872007
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56895010) is 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is VHKDPGCERYZVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14(2)17-7-10-23(21-17)19(18(24)25)8-11-22(12-9-19)13-15-3-5-16(20)6-4-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56895010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).