1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride

C13H25Cl2F3N2O — CID 156735112

IUPAC1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)COCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C13H23F3N2O.2ClH/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12;;/h11-12,17H,1-10H2;2*1H
InChIKeyWZLCXVCERXNTER-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.87
Rot. Bonds4

About 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride

1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride (PubChem CID 156735112) has the molecular formula C13H25Cl2F3N2O and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
PubChem CID156735112
Molecular FormulaC13H25Cl2F3N2O
Molecular Weight353.26 g/mol
Exact Mass352.13
IUPAC Name1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)COCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C13H23F3N2O.2ClH/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12;;/h11-12,17H,1-10H2;2*1H
InChIKeyWZLCXVCERXNTER-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Difluorooxan-4-yl)piperidin-4-amine;dihydrochloride
CID 118454586
(1-Piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
CID 134325289
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;dihydrochloride
CID 156735062
1-Piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
CID 156735063
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
3-[[1-(Fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735119
3-[(3,3-Difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735218
3-[(3,3-Difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219
N-methyloxan-4-amine;1-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride
CID 157673487
(3S,4S,5R)-3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176945950

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride (CID 156735112) is 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride is Cl.Cl.FC(F)(F)COCC1CCCN(C2CCNCC2)C1.
What is the InChIKey of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride?
The InChIKey is WZLCXVCERXNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O.2ClH/c14-13(15,16)10-19-9-11-2-1-7-18(8-11)12-3-5-17-6-4-12;;/h11-12,17H,1-10H2;2*1H.
What are the key properties of 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride?
1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride has a molecular weight of 353.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride is sourced from PubChem (CID 156735112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).