1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine

C12H25NO — CID 147408138

IUPAC1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine
SMILESCC(C)C(C)OCCN1CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyDQBRBYSGODZGJA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine

1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine (PubChem CID 147408138) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine
PubChem CID147408138
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine
SMILESCC(C)C(C)OCCN1CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h11-12H,4-10H2,1-3H3
InChIKeyDQBRBYSGODZGJA-UHFFFAOYSA-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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Related Compounds

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CID 57016594
1-[2-(1-iodoethoxy)ethyl]piperidine
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4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
1-(2-methoxyethyl)azocane
CID 47014834
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]piperidine
CID 59204102
3-methoxy-2-(2-piperidin-1-ylethoxy)propan-1-amine
CID 103228301
2-methyl-N-[2-(2-pyrrolidin-1-ylethoxy)propyl]propan-1-amine
CID 62460018
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate
CID 57233413
1-(2-ethoxyethyl)piperidine
CID 22622871
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
N-methyl-2-(2-pyrrolidin-1-ylethoxy)butan-1-amine
CID 62460019
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine?
The IUPAC name of 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine (CID 147408138) is 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine is CC(C)C(C)OCCN1CCCCC1.
What is the InChIKey of 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine?
The InChIKey is DQBRBYSGODZGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine?
1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine 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 1-[2-(3-methylbutan-2-yloxy)ethyl]piperidine is sourced from PubChem (CID 147408138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).