(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine

C12H21N3 — CID 170927501

IUPAC(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
SMILESCC(C)(C)c1cnn([C@@H]2CCCNC2)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-7-14-15(9-10)11-5-4-6-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyFSBVUOFIYSRIGC-LLVKDONJSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds1

About (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine

(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine (PubChem CID 170927501) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
PubChem CID170927501
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
SMILESCC(C)(C)c1cnn([C@@H]2CCCNC2)c1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-7-14-15(9-10)11-5-4-6-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3/t11-/m1/s1
InChIKeyFSBVUOFIYSRIGC-LLVKDONJSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
CID 84734594
N,N-dimethyl-1-[(3S)-piperidin-3-yl]pyrazol-4-amine
CID 170247526
3-(4-bromopyrazol-1-yl)piperidine;tert-butyl formate
CID 174626038
4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
CID 117124968
4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole
CID 146367376
4-chloro-1-pyrrolidin-3-ylpyrazole
CID 62329636
3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
CID 105495229
1-[(4S)-azepan-4-yl]pyrazol-4-amine
CID 171834882
4-(4-methylsulfonylpyrazol-1-yl)azepane
CID 165477573
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine?
The IUPAC name of (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine (CID 170927501) is (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine.
What is the SMILES notation for (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine?
The canonical SMILES for (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine is CC(C)(C)c1cnn([C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine?
The InChIKey is FSBVUOFIYSRIGC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)10-7-14-15(9-10)11-5-4-6-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine?
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine is sourced from PubChem (CID 170927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).