(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine

C11H18F3N — CID 134195505

IUPAC(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine
SMILESC[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14/h8-10H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeySXUMBXMTYJUEDP-WPRPVWTQSA-N
MW221.27 g/mol
LogP2.92
Rot. Bonds2

About (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine

(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine (PubChem CID 134195505) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine
PubChem CID134195505
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine
SMILESC[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14/h8-10H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeySXUMBXMTYJUEDP-WPRPVWTQSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
3-methyl-1-oxido-4-(trifluoromethyl)piperidine
CID 163672332
(3S,4S)-1-(cyclopropylmethyl)-3-iodo-4-methylpiperidine
CID 138739781
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
CID 114682450
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
4-chloro-3-methyl-1-(oxan-4-ylmethyl)piperidine
CID 114682309
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 166834305
2-(cyclopropylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185712

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine (CID 134195505) is (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine is C[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.
What is the InChIKey of (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is SXUMBXMTYJUEDP-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18F3N/c1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14/h8-10H,2-7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine?
(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 221.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 134195505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).