4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride

C8H15ClF3NO — CID 86775442

IUPAC4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
SMILESCl.FC(F)(F)CCOC1CCNCC1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)3-6-13-7-1-4-12-5-2-7;/h7,12H,1-6H2;1H
InChIKeyHFMGXFURSOHQJG-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.13
Rot. Bonds3

About 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride

4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride (PubChem CID 86775442) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
PubChem CID86775442
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
SMILESCl.FC(F)(F)CCOC1CCNCC1
InChIInChI=1S/C8H14F3NO.ClH/c9-8(10,11)3-6-13-7-1-4-12-5-2-7;/h7,12H,1-6H2;1H
InChIKeyHFMGXFURSOHQJG-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
4-(3-methoxy-3-methylbutoxy)piperidine
CID 59527126
4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
CID 164533496
4-(2-fluoroethoxy)azepane
CID 84651254
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
4-[2-(4-ethylcyclohexyl)ethoxy]piperidine
CID 176984075
4-pentoxypiperidine
CID 43167830
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 63869486
3-piperidin-4-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103920690

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride (CID 86775442) is 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride is Cl.FC(F)(F)CCOC1CCNCC1.
What is the InChIKey of 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride?
The InChIKey is HFMGXFURSOHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.ClH/c9-8(10,11)3-6-13-7-1-4-12-5-2-7;/h7,12H,1-6H2;1H.
What are the key properties of 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride?
4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride has a molecular weight of 233.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride is sourced from PubChem (CID 86775442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).