(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine

C11H23N — CID 145118873

IUPAC(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine
SMILESCCCN1CC[C@H](C)[C@@H](CC)C1
InChIInChI=1S/C11H23N/c1-4-7-12-8-6-10(3)11(5-2)9-12/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyKFTCLLYQDUYDMD-QWRGUYRKSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds3

About (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine

(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine (PubChem CID 145118873) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine
PubChem CID145118873
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine
SMILESCCCN1CC[C@H](C)[C@@H](CC)C1
InChIInChI=1S/C11H23N/c1-4-7-12-8-6-10(3)11(5-2)9-12/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyKFTCLLYQDUYDMD-QWRGUYRKSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-fluoro-4-methyl-1-propylpiperidine
CID 176992465
(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
CID 134195529
ethane;1-ethyl-4-methyl-3-propylpiperidine
CID 144739856
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
4-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-3-amine
CID 103575589
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine?
The IUPAC name of (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine (CID 145118873) is (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine.
What is the SMILES notation for (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine?
The canonical SMILES for (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine is CCCN1CC[C@H](C)[C@@H](CC)C1.
What is the InChIKey of (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine?
The InChIKey is KFTCLLYQDUYDMD-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23N/c1-4-7-12-8-6-10(3)11(5-2)9-12/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine?
(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-methyl-1-propylpiperidine is sourced from PubChem (CID 145118873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).