(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine

C10H14F3N3 — CID 145285525

IUPAC(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1
InChIInChI=1S/C10H14F3N3/c1-16-3-2-8(10(11,12)13)4-9(16)7-5-14-15-6-7/h5-6,8-9H,2-4H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyCNNDSZXCBBCTLD-BDAKNGLRSA-N
MW233.24 g/mol
LogP2.35
Rot. Bonds1

About (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine

(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine (PubChem CID 145285525) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
PubChem CID145285525
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1
InChIInChI=1S/C10H14F3N3/c1-16-3-2-8(10(11,12)13)4-9(16)7-5-14-15-6-7/h5-6,8-9H,2-4H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyCNNDSZXCBBCTLD-BDAKNGLRSA-N
XLogP2.35
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine (CID 145285525) is (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine is CN1CC[C@@H](C(F)(F)F)C[C@H]1c1cn[nH]c1.
What is the InChIKey of (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is CNNDSZXCBBCTLD-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-3-2-8(10(11,12)13)4-9(16)7-5-14-15-6-7/h5-6,8-9H,2-4H2,1H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine?
(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).