4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine

C14H23F2N3 — CID 176640315

IUPAC4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
SMILESCN1CCC(n2cc(C(C)(C)C)cn2)CC1C(F)F
InChIInChI=1S/C14H23F2N3/c1-14(2,3)10-8-17-19(9-10)11-5-6-18(4)12(7-11)13(15)16/h8-9,11-13H,5-7H2,1-4H3
InChIKeyBAWVJKWCUWGZGW-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.08
Rot. Bonds2

About 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine

4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine (PubChem CID 176640315) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
PubChem CID176640315
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
SMILESCN1CCC(n2cc(C(C)(C)C)cn2)CC1C(F)F
InChIInChI=1S/C14H23F2N3/c1-14(2,3)10-8-17-19(9-10)11-5-6-18(4)12(7-11)13(15)16/h8-9,11-13H,5-7H2,1-4H3
InChIKeyBAWVJKWCUWGZGW-UHFFFAOYSA-N
XLogP3.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole
CID 146367376
4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
CID 129227656
4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 176640308
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501
N-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
CID 79643708
(2R)-2-(difluoromethyl)-4-(4-nitropyrazol-1-yl)-1-[(1R)-1-phenylethyl]piperidine
CID 118280676
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
CID 84734594
1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-ol
CID 117124728
1-(1-methylpiperidin-4-yl)pyrazole-4-thiol
CID 149139949
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The IUPAC name of 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine (CID 176640315) is 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The canonical SMILES for 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine is CN1CCC(n2cc(C(C)(C)C)cn2)CC1C(F)F.
What is the InChIKey of 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
The InChIKey is BAWVJKWCUWGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-14(2,3)10-8-17-19(9-10)11-5-6-18(4)12(7-11)13(15)16/h8-9,11-13H,5-7H2,1-4H3.
What are the key properties of 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine?
4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine has a molecular weight of 271.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine is sourced from PubChem (CID 176640315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).