(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine

C7H14F2N2 — CID 125499591

IUPAC(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
SMILESCN(C)[C@H]1CCNCC1(F)F
InChIInChI=1S/C7H14F2N2/c1-11(2)6-3-4-10-5-7(6,8)9/h6,10H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDLWKJRPXEVJOQR-LURJTMIESA-N
MW164.20 g/mol
LogP0.55
Rot. Bonds1

About (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine

(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine (PubChem CID 125499591) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
PubChem CID125499591
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
SMILESCN(C)[C@H]1CCNCC1(F)F
InChIInChI=1S/C7H14F2N2/c1-11(2)6-3-4-10-5-7(6,8)9/h6,10H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDLWKJRPXEVJOQR-LURJTMIESA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(dimethylamino)-3-methylpiperidin-3-ol;ethane
CID 144934725
(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 154669081
3,3-difluoro-4-propylpiperidine
CID 84651633
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
3,3-difluoro-4-propan-2-ylpiperidine
CID 58394614
3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
CID 130719412
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
4-(azetidin-1-yl)-3,3-difluoropiperidine
CID 130999129
3-(3,3-difluoropiperidin-4-yl)propanoic acid
CID 105446725

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine?
The IUPAC name of (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine (CID 125499591) is (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine is CN(C)[C@H]1CCNCC1(F)F.
What is the InChIKey of (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine?
The InChIKey is DLWKJRPXEVJOQR-LURJTMIESA-N. The full InChI is InChI=1S/C7H14F2N2/c1-11(2)6-3-4-10-5-7(6,8)9/h6,10H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine?
(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine has a molecular weight of 164.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 125499591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).