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

C12H26Cl2N2O — CID 53256412

IUPAC[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O.2ClH/c13-9-11-1-5-14(6-2-11)10-12-3-7-15-8-4-12;;/h11-12H,1-10,13H2;2*1H
InChIKeyVJGVEHACSYMHLB-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.93
Rot. Bonds3

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

[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 53256412) has the molecular formula C12H26Cl2N2O and a molecular weight of 285.26 g/mol. Its IUPAC name is [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
PubChem CID53256412
Molecular FormulaC12H26Cl2N2O
Molecular Weight285.26 g/mol
Exact Mass284.14
IUPAC Name[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O.2ClH/c13-9-11-1-5-14(6-2-11)10-12-3-7-15-8-4-12;;/h11-12H,1-10,13H2;2*1H
InChIKeyVJGVEHACSYMHLB-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
[1-(oxetan-3-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 176545971
4-(oxan-4-ylmethyl)morpholine
CID 122244931
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
2-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-amine
CID 35753704

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride (CID 53256412) is [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCN(CC2CCOCC2)CC1.
What is the InChIKey of [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is VJGVEHACSYMHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2ClH/c13-9-11-1-5-14(6-2-11)10-12-3-7-15-8-4-12;;/h11-12H,1-10,13H2;2*1H.
What are the key properties of [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride?
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 285.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 53256412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).