N-methyl-N-(oxetan-3-yl)piperidin-4-amine

C9H18N2O — CID 59605760

IUPACN-methyl-N-(oxetan-3-yl)piperidin-4-amine
SMILESCN(C1CCNCC1)C1COC1
InChIInChI=1S/C9H18N2O/c1-11(9-6-12-7-9)8-2-4-10-5-3-8/h8-10H,2-7H2,1H3
InChIKeyBSWHTZZQNAQJAO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds2

About N-methyl-N-(oxetan-3-yl)piperidin-4-amine

N-methyl-N-(oxetan-3-yl)piperidin-4-amine (PubChem CID 59605760) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-(oxetan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxetan-3-yl)piperidin-4-amine
PubChem CID59605760
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-(oxetan-3-yl)piperidin-4-amine
SMILESCN(C1CCNCC1)C1COC1
InChIInChI=1S/C9H18N2O/c1-11(9-6-12-7-9)8-2-4-10-5-3-8/h8-10H,2-7H2,1H3
InChIKeyBSWHTZZQNAQJAO-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxetan-3-yl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(oxetan-3-yl)piperidin-4-amine (CID 59605760) is N-methyl-N-(oxetan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(oxetan-3-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(oxetan-3-yl)piperidin-4-amine is CN(C1CCNCC1)C1COC1.
What is the InChIKey of N-methyl-N-(oxetan-3-yl)piperidin-4-amine?
The InChIKey is BSWHTZZQNAQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(9-6-12-7-9)8-2-4-10-5-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-methyl-N-(oxetan-3-yl)piperidin-4-amine?
N-methyl-N-(oxetan-3-yl)piperidin-4-amine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxetan-3-yl)piperidin-4-amine is sourced from PubChem (CID 59605760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).