[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine

C10H20N2O — CID 116829685

IUPAC[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine
SMILESCN1CCCC(C2(CN)COC2)C1
InChIInChI=1S/C10H20N2O/c1-12-4-2-3-9(5-12)10(6-11)7-13-8-10/h9H,2-8,11H2,1H3
InChIKeyMBVXLFONVXEQKV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.30
Rot. Bonds2

About [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine

[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine (PubChem CID 116829685) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine
PubChem CID116829685
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine
SMILESCN1CCCC(C2(CN)COC2)C1
InChIInChI=1S/C10H20N2O/c1-12-4-2-3-9(5-12)10(6-11)7-13-8-10/h9H,2-8,11H2,1H3
InChIKeyMBVXLFONVXEQKV-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-tert-butyl-3-(2-methoxyethyl)piperidine
CID 58661899
5,9-Dimethyl-2-oxa-7-azaspiro[3.5]nonane
CID 83959973
5,7-Ditert-butyl-2-oxa-7-azaspiro[3.5]nonane
CID 176736559
2-[[4-(Methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-amine
CID 63972204
3-Tert-butyl-6-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 64353834
5-[4-(Methoxymethyl)piperidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65253844
N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 65254443
6-[4-(Methoxymethyl)piperidin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296309
3-Ethyl-4-(methoxymethyl)-4-methylpiperidine
CID 79309607
3,4-Diethyl-4-(methoxymethyl)piperidine
CID 79320449
4-Ethyl-4-(methoxymethyl)-3-propylpiperidine
CID 79320812
4-(Methoxymethyl)-4-methyl-3-propylpiperidine
CID 79321116

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine (CID 116829685) is [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine is CN1CCCC(C2(CN)COC2)C1.
What is the InChIKey of [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine?
The InChIKey is MBVXLFONVXEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-4-2-3-9(5-12)10(6-11)7-13-8-10/h9H,2-8,11H2,1H3.
What are the key properties of [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine?
[3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpiperidin-3-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).