[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride

C10H22Cl2N2O — CID 176545971

IUPAC[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC2COC2)CC1
InChIInChI=1S/C10H20N2O.2ClH/c11-5-9-1-3-12(4-2-9)6-10-7-13-8-10;;/h9-10H,1-8,11H2;2*1H
InChIKeyMQKREDCKTISSJW-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.15
Rot. Bonds3

About [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride

[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 176545971) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
PubChem CID176545971
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC2COC2)CC1
InChIInChI=1S/C10H20N2O.2ClH/c11-5-9-1-3-12(4-2-9)6-10-7-13-8-10;;/h9-10H,1-8,11H2;2*1H
InChIKeyMQKREDCKTISSJW-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
1-(oxetan-3-ylmethyl)piperidine
CID 57169736
4,4-dimethyl-1-(oxetan-3-ylmethyl)piperidine;ethane
CID 144941414
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
[3-(aziridin-1-ylmethyl)cyclohexyl]methanamine
CID 147678313
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688

Frequently Asked Questions

What is the IUPAC name of [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride (CID 176545971) is [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCN(CC2COC2)CC1.
What is the InChIKey of [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is MQKREDCKTISSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c11-5-9-1-3-12(4-2-9)6-10-7-13-8-10;;/h9-10H,1-8,11H2;2*1H.
What are the key properties of [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 176545971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).