(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine

C12H25NO — CID 89119977

IUPAC(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine
SMILESCCCC1[C@@H](C)CCCN1CCOC
InChIInChI=1S/C12H25NO/c1-4-6-12-11(2)7-5-8-13(12)9-10-14-3/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyOYPJIGIYBJCYCW-PXYINDEMSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine

(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine (PubChem CID 89119977) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine
PubChem CID89119977
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine
SMILESCCCC1[C@@H](C)CCCN1CCOC
InChIInChI=1S/C12H25NO/c1-4-6-12-11(2)7-5-8-13(12)9-10-14-3/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyOYPJIGIYBJCYCW-PXYINDEMSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine?
The IUPAC name of (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine (CID 89119977) is (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine is CCCC1[C@@H](C)CCCN1CCOC.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine?
The InChIKey is OYPJIGIYBJCYCW-PXYINDEMSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-12-11(2)7-5-8-13(12)9-10-14-3/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine?
(3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-3-methyl-2-propylpiperidine is sourced from PubChem (CID 89119977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).