1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine

C12H23NO — CID 129199350

IUPAC1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
SMILESCOC1CC(CN2CCC(C)CC2)C1
InChIInChI=1S/C12H23NO/c1-10-3-5-13(6-4-10)9-11-7-12(8-11)14-2/h10-12H,3-9H2,1-2H3
InChIKeyMZIKGWZDJPQHKG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine

1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine (PubChem CID 129199350) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
PubChem CID129199350
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
SMILESCOC1CC(CN2CCC(C)CC2)C1
InChIInChI=1S/C12H23NO/c1-10-3-5-13(6-4-10)9-11-7-12(8-11)14-2/h10-12H,3-9H2,1-2H3
InChIKeyMZIKGWZDJPQHKG-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
CID 126793833
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
CID 126842158
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656
1-[(4-methoxypyrrolidin-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63008682

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine (CID 129199350) is 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine is COC1CC(CN2CCC(C)CC2)C1.
What is the InChIKey of 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine?
The InChIKey is MZIKGWZDJPQHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-3-5-13(6-4-10)9-11-7-12(8-11)14-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine?
1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 129199350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).