(3S)-3-ethylpiperidine

C7H15N — CID 11804713

IUPAC(3S)-3-ethylpiperidine
SMILESCC[C@H]1CCCNC1
InChIInChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyYLUDSYGJHAQGOD-ZETCQYMHSA-N
MW113.20 g/mol
LogP1.40
Rot. Bonds1

About (3S)-3-ethylpiperidine

(3S)-3-ethylpiperidine (PubChem CID 11804713) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3S)-3-ethylpiperidine.

Molecular Properties

Compound Name(3S)-3-ethylpiperidine
PubChem CID11804713
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3S)-3-ethylpiperidine
SMILESCC[C@H]1CCCNC1
InChIInChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyYLUDSYGJHAQGOD-ZETCQYMHSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethylpiperidine?
The IUPAC name of (3S)-3-ethylpiperidine (CID 11804713) is (3S)-3-ethylpiperidine.
What is the SMILES notation for (3S)-3-ethylpiperidine?
The canonical SMILES for (3S)-3-ethylpiperidine is CC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-ethylpiperidine?
The InChIKey is YLUDSYGJHAQGOD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethylpiperidine?
(3S)-3-ethylpiperidine has a molecular weight of 113.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethylpiperidine is sourced from PubChem (CID 11804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).