(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen

C8H18F2N2 — CID 176945957

IUPAC(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen
SMILESCN[C@H]1[C@@H](C)CN(C)CC1(F)F.[H][H]
InChIInChI=1S/C8H16F2N2.H2/c1-6-4-12(3)5-8(9,10)7(6)11-2;/h6-7,11H,4-5H2,1-3H3;1H/t6-,7-;/m0./s1
InChIKeySSMWVUYNISDHCP-LEUCUCNGSA-N
MW180.24 g/mol
LogP1.04
Rot. Bonds1

About (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen

(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen (PubChem CID 176945957) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen
PubChem CID176945957
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen
SMILESCN[C@H]1[C@@H](C)CN(C)CC1(F)F.[H][H]
InChIInChI=1S/C8H16F2N2.H2/c1-6-4-12(3)5-8(9,10)7(6)11-2;/h6-7,11H,4-5H2,1-3H3;1H/t6-,7-;/m0./s1
InChIKeySSMWVUYNISDHCP-LEUCUCNGSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-Methyl-1,4'-bipiperidine
CID 2760044
1,3-Dimethylpiperidin-4-amine
CID 23008883
Methyl((1-methylpiperidin-3-yl)methyl)amine
CID 16640588
N,N-Dimethyl-1-piperidin-3-ylmethanamine
CID 16768076
1-ethyl-N,3-dimethylpiperidin-4-amine
CID 54595021
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
Diethyl-piperidin-3-ylmethyl-amine
CID 6484181
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine dihydrochloride
CID 54595919
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine hydrochloride
CID 71758336

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen (CID 176945957) is (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen is CN[C@H]1[C@@H](C)CN(C)CC1(F)F.[H][H].
What is the InChIKey of (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen?
The InChIKey is SSMWVUYNISDHCP-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H16F2N2.H2/c1-6-4-12(3)5-8(9,10)7(6)11-2;/h6-7,11H,4-5H2,1-3H3;1H/t6-,7-;/m0./s1.
What are the key properties of (4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen?
(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen has a molecular weight of 180.24 g/mol, XLogP of 1.04, 1 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-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 176945957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).