(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine

C12H25NO — CID 86320703

IUPAC(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCC[C@H]1CCCNC1
InChIInChI=1S/C12H25NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyFURAEKKJNVYFPH-GFCCVEGCSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine

(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine (PubChem CID 86320703) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
PubChem CID86320703
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
SMILESCC(C)CCOCC[C@H]1CCCNC1
InChIInChI=1S/C12H25NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyFURAEKKJNVYFPH-GFCCVEGCSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-(3-methylbutyl)piperidine
CID 53409753
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
ethane;4-[2-[2-(3-methylbutoxy)ethoxy]ethyl]piperidine
CID 167480548
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine?
The IUPAC name of (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine (CID 86320703) is (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine?
The canonical SMILES for (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine is CC(C)CCOCC[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine?
The InChIKey is FURAEKKJNVYFPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)5-8-14-9-6-12-4-3-7-13-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine?
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-methylbutoxy)ethyl]piperidine is sourced from PubChem (CID 86320703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).