(3R)-3-(3-methylbutoxymethyl)piperidine

C11H23NO — CID 26190551

IUPAC(3R)-3-(3-methylbutoxymethyl)piperidine
SMILESCC(C)CCOC[C@@H]1CCCNC1
InChIInChI=1S/C11H23NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyQCXNMIQIRYFYMJ-LLVKDONJSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About (3R)-3-(3-methylbutoxymethyl)piperidine

(3R)-3-(3-methylbutoxymethyl)piperidine (PubChem CID 26190551) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-3-(3-methylbutoxymethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(3-methylbutoxymethyl)piperidine
PubChem CID26190551
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R)-3-(3-methylbutoxymethyl)piperidine
SMILESCC(C)CCOC[C@@H]1CCCNC1
InChIInChI=1S/C11H23NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyQCXNMIQIRYFYMJ-LLVKDONJSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
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-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-methylbutoxymethylcyclobutane
CID 66602657
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(3-methylbutyl)piperidine
CID 53409753
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
3-(2-methylpentoxymethyl)piperidine
CID 62339734
3-methylbutoxymethylcyclopropane
CID 58970607
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbutoxymethyl)piperidine?
The IUPAC name of (3R)-3-(3-methylbutoxymethyl)piperidine (CID 26190551) is (3R)-3-(3-methylbutoxymethyl)piperidine.
What is the SMILES notation for (3R)-3-(3-methylbutoxymethyl)piperidine?
The canonical SMILES for (3R)-3-(3-methylbutoxymethyl)piperidine is CC(C)CCOC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-(3-methylbutoxymethyl)piperidine?
The InChIKey is QCXNMIQIRYFYMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h10-12H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(3-methylbutoxymethyl)piperidine?
(3R)-3-(3-methylbutoxymethyl)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbutoxymethyl)piperidine is sourced from PubChem (CID 26190551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).