4-(2-methylidenebutoxymethyl)piperidine

C11H21NO — CID 66045029

IUPAC4-(2-methylidenebutoxymethyl)piperidine
SMILESC=C(CC)COCC1CCNCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-13-9-11-4-6-12-7-5-11/h11-12H,2-9H2,1H3
InChIKeyFWAXJYPRJVZOLU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 4-(2-methylidenebutoxymethyl)piperidine

4-(2-methylidenebutoxymethyl)piperidine (PubChem CID 66045029) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2-methylidenebutoxymethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylidenebutoxymethyl)piperidine
PubChem CID66045029
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2-methylidenebutoxymethyl)piperidine
SMILESC=C(CC)COCC1CCNCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-13-9-11-4-6-12-7-5-11/h11-12H,2-9H2,1H3
InChIKeyFWAXJYPRJVZOLU-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
N,N-diethyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062933
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
N-butan-2-yl-2-(piperidin-4-ylmethoxy)acetamide
CID 62340080
piperidin-4-ylmethoxymethylalumane
CID 146804034
N-methyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79717112
[(2Z,4Z)-2-methyl-1-(piperidin-4-ylmethoxy)hepta-2,4-dien-3-yl]phosphane
CID 143305049
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639
N-ethyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79716490
2-(piperidin-4-ylmethoxy)-1-pyrrolidin-1-ylethanone
CID 39062936
4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 56829997
ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebutoxymethyl)piperidine?
The IUPAC name of 4-(2-methylidenebutoxymethyl)piperidine (CID 66045029) is 4-(2-methylidenebutoxymethyl)piperidine.
What is the SMILES notation for 4-(2-methylidenebutoxymethyl)piperidine?
The canonical SMILES for 4-(2-methylidenebutoxymethyl)piperidine is C=C(CC)COCC1CCNCC1.
What is the InChIKey of 4-(2-methylidenebutoxymethyl)piperidine?
The InChIKey is FWAXJYPRJVZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)8-13-9-11-4-6-12-7-5-11/h11-12H,2-9H2,1H3.
What are the key properties of 4-(2-methylidenebutoxymethyl)piperidine?
4-(2-methylidenebutoxymethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebutoxymethyl)piperidine is sourced from PubChem (CID 66045029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).