3-(2-methylpentoxymethyl)piperidine

C12H25NO — CID 62339734

IUPAC3-(2-methylpentoxymethyl)piperidine
SMILESCCCC(C)COCC1CCCNC1
InChIInChI=1S/C12H25NO/c1-3-5-11(2)9-14-10-12-6-4-7-13-8-12/h11-13H,3-10H2,1-2H3
InChIKeyAVUVSHMCGLFJDQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About 3-(2-methylpentoxymethyl)piperidine

3-(2-methylpentoxymethyl)piperidine (PubChem CID 62339734) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-methylpentoxymethyl)piperidine.

Molecular Properties

Compound Name3-(2-methylpentoxymethyl)piperidine
PubChem CID62339734
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-methylpentoxymethyl)piperidine
SMILESCCCC(C)COCC1CCCNC1
InChIInChI=1S/C12H25NO/c1-3-5-11(2)9-14-10-12-6-4-7-13-8-12/h11-13H,3-10H2,1-2H3
InChIKeyAVUVSHMCGLFJDQ-UHFFFAOYSA-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

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Related Compounds

1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939364
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
(3R)-3-(2-methylhexyl)piperidine
CID 155456169
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
CID 99980954
N-(piperidin-3-ylmethyl)pentan-2-amine
CID 80553041

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentoxymethyl)piperidine?
The IUPAC name of 3-(2-methylpentoxymethyl)piperidine (CID 62339734) is 3-(2-methylpentoxymethyl)piperidine.
What is the SMILES notation for 3-(2-methylpentoxymethyl)piperidine?
The canonical SMILES for 3-(2-methylpentoxymethyl)piperidine is CCCC(C)COCC1CCCNC1.
What is the InChIKey of 3-(2-methylpentoxymethyl)piperidine?
The InChIKey is AVUVSHMCGLFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-11(2)9-14-10-12-6-4-7-13-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-(2-methylpentoxymethyl)piperidine?
3-(2-methylpentoxymethyl)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 3-(2-methylpentoxymethyl)piperidine is sourced from PubChem (CID 62339734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).