(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine

C9H20N2 — CID 94244956

IUPAC(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
SMILESCCN1CC[C@H](NC)[C@H](C)C1
InChIInChI=1S/C9H20N2/c1-4-11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyGQWULILKFDIEHL-BDAKNGLRSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds2

About (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine

(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine (PubChem CID 94244956) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
PubChem CID94244956
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
SMILESCCN1CC[C@H](NC)[C@H](C)C1
InChIInChI=1S/C9H20N2/c1-4-11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyGQWULILKFDIEHL-BDAKNGLRSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine?
The IUPAC name of (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine (CID 94244956) is (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine is CCN1CC[C@H](NC)[C@H](C)C1.
What is the InChIKey of (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine?
The InChIKey is GQWULILKFDIEHL-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-11-6-5-9(10-3)8(2)7-11/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine?
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine has a molecular weight of 156.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 94244956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).