[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride

C13H25ClN2O3 — CID 120925164

IUPAC[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
SMILESCOC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-17-11-3-2-6-15(9-11)12(16)13(10-14)4-7-18-8-5-13;/h11H,2-10,14H2,1H3;1H
InChIKeyODNHXXDGOGYSHS-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.80
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 120925164) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID120925164
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
SMILESCOC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-17-11-3-2-6-15(9-11)12(16)13(10-14)4-7-18-8-5-13;/h11H,2-10,14H2,1H3;1H
InChIKeyODNHXXDGOGYSHS-UHFFFAOYSA-N
XLogP0.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
4-(3-methoxypiperidine-1-carbonyl)oxane-4-carbothioamide
CID 102957868
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120929371
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
CID 80587348
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940816
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride (CID 120925164) is [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride is COC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is ODNHXXDGOGYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-17-11-3-2-6-15(9-11)12(16)13(10-14)4-7-18-8-5-13;/h11H,2-10,14H2,1H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120925164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).