(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

C14H22F3N3O — CID 97215221

IUPAC(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCCCO[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3/t12-/m0/s1
InChIKeyVZTXISNWGVELIH-LBPRGKRZSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds6

About (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine

(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (PubChem CID 97215221) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
PubChem CID97215221
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
SMILESCCCO[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3/t12-/m0/s1
InChIKeyVZTXISNWGVELIH-LBPRGKRZSA-N
XLogP2.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The IUPAC name of (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine (CID 97215221) is (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is CCCO[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1.
What is the InChIKey of (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
The InChIKey is VZTXISNWGVELIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-2-8-21-12-4-3-6-19(9-12)10-13-18-5-7-20(13)11-14(15,16)17/h5,7,12H,2-4,6,8-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine?
(3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine has a molecular weight of 305.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 97215221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).