4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine

C13H26N2O — CID 134335422

IUPAC4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
SMILESCOCC[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-11-10-14-7-5-13(11)15-8-3-4-12(15)6-9-16-2/h11-14H,3-10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeySOUGTCQGLKYSDJ-CPCZMJQVSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine

4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine (PubChem CID 134335422) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine.

Molecular Properties

Compound Name4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
PubChem CID134335422
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
SMILESCOCC[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-11-10-14-7-5-13(11)15-8-3-4-12(15)6-9-16-2/h11-14H,3-10H2,1-2H3/t11?,12-,13?/m0/s1
InChIKeySOUGTCQGLKYSDJ-CPCZMJQVSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine?
The IUPAC name of 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine (CID 134335422) is 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine.
What is the SMILES notation for 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine?
The canonical SMILES for 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine is COCC[C@@H]1CCCN1C1CCNCC1C.
What is the InChIKey of 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine?
The InChIKey is SOUGTCQGLKYSDJ-CPCZMJQVSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-10-14-7-5-13(11)15-8-3-4-12(15)6-9-16-2/h11-14H,3-10H2,1-2H3/t11?,12-,13?/m0/s1.
What are the key properties of 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine?
4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine is sourced from PubChem (CID 134335422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).