(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine

C12H21N3 — CID 176612652

IUPAC(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)(C)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-8-4-5-10(9-15)11-6-7-13-14-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyQWBXZSXDCJPRET-JTQLQIEISA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds1

About (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine

(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 176612652) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
PubChem CID176612652
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)(C)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-8-4-5-10(9-15)11-6-7-13-14-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyQWBXZSXDCJPRET-JTQLQIEISA-N
XLogP2.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100669470
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768651
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95199685
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
2-methyl-4-[4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 45181117

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine (CID 176612652) is (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine is CC(C)(C)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is QWBXZSXDCJPRET-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)15-8-4-5-10(9-15)11-6-7-13-14-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine?
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 176612652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).