4,4-difluoropiperidin-3-amine;hydrochloride

C5H11ClF2N2 — CID 121487885

IUPAC4,4-difluoropiperidin-3-amine;hydrochloride
SMILESCl.NC1CNCCC1(F)F
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-2-9-3-4(5)8;/h4,9H,1-3,8H2;1H
InChIKeyOHLZFYZQRZYNDN-UHFFFAOYSA-N
MW172.61 g/mol
LogP0.36
Rot. Bonds

About 4,4-difluoropiperidin-3-amine;hydrochloride

4,4-difluoropiperidin-3-amine;hydrochloride (PubChem CID 121487885) has the molecular formula C5H11ClF2N2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 4,4-difluoropiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoropiperidin-3-amine;hydrochloride
PubChem CID121487885
Molecular FormulaC5H11ClF2N2
Molecular Weight172.61 g/mol
Exact Mass172.06
IUPAC Name4,4-difluoropiperidin-3-amine;hydrochloride
SMILESCl.NC1CNCCC1(F)F
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-2-9-3-4(5)8;/h4,9H,1-3,8H2;1H
InChIKeyOHLZFYZQRZYNDN-UHFFFAOYSA-N
XLogP0.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoropiperidin-3-amine
CID 86775600
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
(3S)-3,4,4-trifluoropiperidine
CID 124662369
(4R)-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
CID 167210135
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
1-[2-(4,4-difluoropiperidin-3-yl)ethyl]-1-propan-2-ylhydrazine
CID 146376028
5-azaspiro[2.4]heptan-7-amine;dihydrochloride
CID 22033764
(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine
CID 115019066
3-benzyl-4,4-difluoropiperidine
CID 84678460
4-[(4,4-difluoropiperidin-3-yl)methyl]morpholine
CID 105475528
(5S)-4,4,5-trifluoroazepane
CID 124556119

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidin-3-amine;hydrochloride?
The IUPAC name of 4,4-difluoropiperidin-3-amine;hydrochloride (CID 121487885) is 4,4-difluoropiperidin-3-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoropiperidin-3-amine;hydrochloride?
The canonical SMILES for 4,4-difluoropiperidin-3-amine;hydrochloride is Cl.NC1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoropiperidin-3-amine;hydrochloride?
The InChIKey is OHLZFYZQRZYNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.ClH/c6-5(7)1-2-9-3-4(5)8;/h4,9H,1-3,8H2;1H.
What are the key properties of 4,4-difluoropiperidin-3-amine;hydrochloride?
4,4-difluoropiperidin-3-amine;hydrochloride has a molecular weight of 172.61 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidin-3-amine;hydrochloride is sourced from PubChem (CID 121487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).