(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate

C13H21F3N2O2 — CID 134325289

IUPAC(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCN(C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(19)20-9-10-2-1-7-18(8-10)11-3-5-17-6-4-11/h10-11,17H,1-9H2
InChIKeyQJVPJCGFKBFDPK-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds3

About (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate

(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate (PubChem CID 134325289) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
PubChem CID134325289
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCN(C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(19)20-9-10-2-1-7-18(8-10)11-3-5-17-6-4-11/h10-11,17H,1-9H2
InChIKeyQJVPJCGFKBFDPK-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate
CID 67875257
(1-Piperidin-4-ylpiperidin-3-yl)methanol;2,2,2-trifluoroacetic acid
CID 134325286
[3-(Methoxymethyl)-1-piperidin-4-ylpiperidin-2-yl] 2,2,2-trifluoroacetate
CID 140087501
N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455406
3-[[1-(Difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735032
3-(3-Fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
CID 156735038
1-Piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
CID 156735063
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
CID 156735112
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
3-[(3,3-Difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219
N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905601
Ethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxylate
CID 63383110

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate?
The IUPAC name of (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate (CID 134325289) is (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate?
The canonical SMILES for (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate is O=C(OCC1CCCN(C2CCNCC2)C1)C(F)(F)F.
What is the InChIKey of (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate?
The InChIKey is QJVPJCGFKBFDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(19)20-9-10-2-1-7-18(8-10)11-3-5-17-6-4-11/h10-11,17H,1-9H2.
What are the key properties of (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate?
(1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate has a molecular weight of 294.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 134325289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).