(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen

C9H22F2N2 — CID 176945883

IUPAC(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen
SMILESCC.C[C@H]1CN(C)CC(F)(F)[C@H]1N.[H][H]
InChIInChI=1S/C7H14F2N2.C2H6.H2/c1-5-3-11(2)4-7(8,9)6(5)10;1-2;/h5-6H,3-4,10H2,1-2H3;1-2H3;1H/t5-,6-;;/m0../s1
InChIKeyZSFQNMKMYWIYOC-USPAICOZSA-N
MW196.28 g/mol
LogP1.80
Rot. Bonds

About (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen

(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen (PubChem CID 176945883) has the molecular formula C9H22F2N2 and a molecular weight of 196.28 g/mol. Its IUPAC name is (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen
PubChem CID176945883
Molecular FormulaC9H22F2N2
Molecular Weight196.28 g/mol
Exact Mass196.18
IUPAC Name(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen
SMILESCC.C[C@H]1CN(C)CC(F)(F)[C@H]1N.[H][H]
InChIInChI=1S/C7H14F2N2.C2H6.H2/c1-5-3-11(2)4-7(8,9)6(5)10;1-2;/h5-6H,3-4,10H2,1-2H3;1-2H3;1H/t5-,6-;;/m0../s1
InChIKeyZSFQNMKMYWIYOC-USPAICOZSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
1,3-Dimethylpiperidin-4-amine
CID 23008883
3-(3-Methylpiperidin-1-yl)propan-1-amine
CID 33069
(1-Ethylpiperidin-3-yl)methanamine
CID 5200272
[(1-Isobutylpiperidin-3-yl)methyl]amine
CID 24274799
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine
CID 60922938
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The IUPAC name of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen (CID 176945883) is (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen.
What is the SMILES notation for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The canonical SMILES for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen is CC.C[C@H]1CN(C)CC(F)(F)[C@H]1N.[H][H].
What is the InChIKey of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The InChIKey is ZSFQNMKMYWIYOC-USPAICOZSA-N. The full InChI is InChI=1S/C7H14F2N2.C2H6.H2/c1-5-3-11(2)4-7(8,9)6(5)10;1-2;/h5-6H,3-4,10H2,1-2H3;1-2H3;1H/t5-,6-;;/m0../s1.
What are the key properties of (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen has a molecular weight of 196.28 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen is sourced from PubChem (CID 176945883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).