3-(difluoromethyl)-3-methoxypiperidine;hydrochloride

C7H14ClF2NO — CID 167725268

IUPAC3-(difluoromethyl)-3-methoxypiperidine;hydrochloride
SMILESCOC1(C(F)F)CCCNC1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-11-7(6(8)9)3-2-4-10-5-7;/h6,10H,2-5H2,1H3;1H
InChIKeyBJGJDQSTCMHENK-UHFFFAOYSA-N
MW201.64 g/mol
LogP1.44
Rot. Bonds2

About 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride

3-(difluoromethyl)-3-methoxypiperidine;hydrochloride (PubChem CID 167725268) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-3-methoxypiperidine;hydrochloride
PubChem CID167725268
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name3-(difluoromethyl)-3-methoxypiperidine;hydrochloride
SMILESCOC1(C(F)F)CCCNC1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-11-7(6(8)9)3-2-4-10-5-7;/h6,10H,2-5H2,1H3;1H
InChIKeyBJGJDQSTCMHENK-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride (CID 167725268) is 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride is COC1(C(F)F)CCCNC1.Cl.
What is the InChIKey of 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride?
The InChIKey is BJGJDQSTCMHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c1-11-7(6(8)9)3-2-4-10-5-7;/h6,10H,2-5H2,1H3;1H.
What are the key properties of 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride?
3-(difluoromethyl)-3-methoxypiperidine;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-methoxypiperidine;hydrochloride is sourced from PubChem (CID 167725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).