(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine

C13H27NO2 — CID 100627852

IUPAC(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCOC[C@H]1CCCN(CCOCC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-12(2)10-16-8-7-14-6-4-5-13(9-14)11-15-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyDRXSIQIODUZGEH-ZDUSSCGKSA-N
MW229.36 g/mol
LogP2.02
Rot. Bonds7

About (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine

(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 100627852) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID100627852
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCOC[C@H]1CCCN(CCOCC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-12(2)10-16-8-7-14-6-4-5-13(9-14)11-15-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyDRXSIQIODUZGEH-ZDUSSCGKSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 106453494
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
1-[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]ethanone
CID 106452872
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
1-[2-(2-methylpropoxy)ethyl]-4-pyrrolidin-1-ylazepane
CID 122139895
3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 106587391

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 100627852) is (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine is COC[C@H]1CCCN(CCOCC(C)C)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is DRXSIQIODUZGEH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)10-16-8-7-14-6-4-5-13(9-14)11-15-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 229.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 100627852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).