4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine

C11H21NO — CID 118406348

IUPAC4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine
SMILESCCOC[C@H]1C[C@@H]1C1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-13-8-10-7-11(10)9-3-5-12-6-4-9/h9-12H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyYYYYAQPCLPJHQR-GHMZBOCLSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

About 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine

4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine (PubChem CID 118406348) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine.

Molecular Properties

Compound Name4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine
PubChem CID118406348
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine
SMILESCCOC[C@H]1C[C@@H]1C1CCNCC1
InChIInChI=1S/C11H21NO/c1-2-13-8-10-7-11(10)9-3-5-12-6-4-9/h9-12H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyYYYYAQPCLPJHQR-GHMZBOCLSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine?
The IUPAC name of 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine (CID 118406348) is 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine.
What is the SMILES notation for 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine?
The canonical SMILES for 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine is CCOC[C@H]1C[C@@H]1C1CCNCC1.
What is the InChIKey of 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine?
The InChIKey is YYYYAQPCLPJHQR-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-13-8-10-7-11(10)9-3-5-12-6-4-9/h9-12H,2-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine?
4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(ethoxymethyl)cyclopropyl]piperidine is sourced from PubChem (CID 118406348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).