(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine

C11H21N — CID 134195657

IUPAC(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
SMILESCC[C@H]1CCN(C2CC2)C[C@@H]1C
InChIInChI=1S/C11H21N/c1-3-10-6-7-12(8-9(10)2)11-4-5-11/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyYDZYAYFECSTJPD-UWVGGRQHSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds2

About (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine

(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine (PubChem CID 134195657) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
PubChem CID134195657
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
SMILESCC[C@H]1CCN(C2CC2)C[C@@H]1C
InChIInChI=1S/C11H21N/c1-3-10-6-7-12(8-9(10)2)11-4-5-11/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyYDZYAYFECSTJPD-UWVGGRQHSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]ethanethiol
CID 134203262
(4S,5R)-1-cyclobutyl-3-[2-[(3S,4R)-1-cyclobutyl-4-propylpiperidin-3-yl]ethyl]-5-methyl-4-propylpiperidine
CID 138739828
3-ethyl-1-(3-methylcyclopentyl)piperidin-4-amine
CID 81457825
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
CID 83846866
(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-amine
CID 124709446
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-cyclopropyl-3-ethylpiperidine
CID 76560892
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine?
The IUPAC name of (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine (CID 134195657) is (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine.
What is the SMILES notation for (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine?
The canonical SMILES for (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine is CC[C@H]1CCN(C2CC2)C[C@@H]1C.
What is the InChIKey of (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine?
The InChIKey is YDZYAYFECSTJPD-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10-6-7-12(8-9(10)2)11-4-5-11/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine?
(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine is sourced from PubChem (CID 134195657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).