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

C14H27ClN2O2 — CID 120925779

IUPAC[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2)4-3-7-16(11-13)12(17)14(10-15)5-8-18-9-6-14;/h3-11,15H2,1-2H3;1H
InChIKeyRWPISKICFIADLM-UHFFFAOYSA-N
MW290.84 g/mol
LogP1.81
Rot. Bonds2

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

[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 120925779) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
PubChem CID120925779
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
SMILESCC1(C)CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2)4-3-7-16(11-13)12(17)14(10-15)5-8-18-9-6-14;/h3-11,15H2,1-2H3;1H
InChIKeyRWPISKICFIADLM-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
CID 120933192
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120929371
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride (CID 120925779) is [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride is CC1(C)CCCN(C(=O)C2(CN)CCOCC2)C1.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is RWPISKICFIADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-13(2)4-3-7-16(11-13)12(17)14(10-15)5-8-18-9-6-14;/h3-11,15H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120925779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).