2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine

C9H18F2N2 — CID 129499448

IUPAC2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
SMILESCC(F)(F)[C@H]1CCCN(CCN)C1
InChIInChI=1S/C9H18F2N2/c1-9(10,11)8-3-2-5-13(7-8)6-4-12/h8H,2-7,12H2,1H3/t8-/m0/s1
InChIKeySJDHQAGNVGDISJ-QMMMGPOBSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds3

About 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine

2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine (PubChem CID 129499448) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
PubChem CID129499448
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
SMILESCC(F)(F)[C@H]1CCCN(CCN)C1
InChIInChI=1S/C9H18F2N2/c1-9(10,11)8-3-2-5-13(7-8)6-4-12/h8H,2-7,12H2,1H3/t8-/m0/s1
InChIKeySJDHQAGNVGDISJ-QMMMGPOBSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
CID 121202516
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 96745643
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
4-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentan-1-amine
CID 113440626

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine (CID 129499448) is 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine is CC(F)(F)[C@H]1CCCN(CCN)C1.
What is the InChIKey of 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine?
The InChIKey is SJDHQAGNVGDISJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-9(10,11)8-3-2-5-13(7-8)6-4-12/h8H,2-7,12H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine?
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 129499448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).