(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine

C12H21N3 — CID 67986581

IUPAC(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine
SMILESCC(C)N1CC[C@H](n2cccn2)[C@H](C)C1
InChIInChI=1S/C12H21N3/c1-10(2)14-8-5-12(11(3)9-14)15-7-4-6-13-15/h4,6-7,10-12H,5,8-9H2,1-3H3/t11-,12+/m1/s1
InChIKeySKTIYOQGYWZXLF-NEPJUHHUSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds2

About (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine

(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine (PubChem CID 67986581) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine
PubChem CID67986581
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine
SMILESCC(C)N1CC[C@H](n2cccn2)[C@H](C)C1
InChIInChI=1S/C12H21N3/c1-10(2)14-8-5-12(11(3)9-14)15-7-4-6-13-15/h4,6-7,10-12H,5,8-9H2,1-3H3/t11-,12+/m1/s1
InChIKeySKTIYOQGYWZXLF-NEPJUHHUSA-N
XLogP2.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The IUPAC name of (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine (CID 67986581) is (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine is CC(C)N1CC[C@H](n2cccn2)[C@H](C)C1.
What is the InChIKey of (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The InChIKey is SKTIYOQGYWZXLF-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)14-8-5-12(11(3)9-14)15-7-4-6-13-15/h4,6-7,10-12H,5,8-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine?
(3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-1-propan-2-yl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 67986581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).