(3R,4S)-N,N,3-trimethylpiperidin-4-amine

C8H18N2 — CID 95352639

IUPAC(3R,4S)-N,N,3-trimethylpiperidin-4-amine
SMILESC[C@@H]1CNCC[C@@H]1N(C)C
InChIInChI=1S/C8H18N2/c1-7-6-9-5-4-8(7)10(2)3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyFZVOPHDUSUCYND-SFYZADRCSA-N
MW142.25 g/mol
LogP0.55
Rot. Bonds1

About (3R,4S)-N,N,3-trimethylpiperidin-4-amine

(3R,4S)-N,N,3-trimethylpiperidin-4-amine (PubChem CID 95352639) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3R,4S)-N,N,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N,N,3-trimethylpiperidin-4-amine
PubChem CID95352639
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3R,4S)-N,N,3-trimethylpiperidin-4-amine
SMILESC[C@@H]1CNCC[C@@H]1N(C)C
InChIInChI=1S/C8H18N2/c1-7-6-9-5-4-8(7)10(2)3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyFZVOPHDUSUCYND-SFYZADRCSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine
CID 118285
5-Ethyl-2-methylpiperidine
CID 7727
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
N,N-Dimethylpiperidin-4-amine
CID 417391
N,N,2,2,6,6-Hexamethyl-4-piperidinamine
CID 547352
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-Ethylpiperidin-4-amine
CID 3734990
2,5-Dimethylpiperidine
CID 524018
2,4,6-Trimethylpiperidine
CID 89562

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N,3-trimethylpiperidin-4-amine?
The IUPAC name of (3R,4S)-N,N,3-trimethylpiperidin-4-amine (CID 95352639) is (3R,4S)-N,N,3-trimethylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-N,N,3-trimethylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-N,N,3-trimethylpiperidin-4-amine is C[C@@H]1CNCC[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-N,N,3-trimethylpiperidin-4-amine?
The InChIKey is FZVOPHDUSUCYND-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2/c1-7-6-9-5-4-8(7)10(2)3/h7-9H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-N,N,3-trimethylpiperidin-4-amine?
(3R,4S)-N,N,3-trimethylpiperidin-4-amine has a molecular weight of 142.25 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 (3R,4S)-N,N,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 95352639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).