(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

C15H29ClN2O2 — CID 119803723

IUPAC(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCCC(C)(C)CC2)CCNCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-14(2)5-4-11-17(12-8-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H
InChIKeyIDLQEUACTQMIHN-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.22
Rot. Bonds2

About (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride

(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (PubChem CID 119803723) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
PubChem CID119803723
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCCC(C)(C)CC2)CCNCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-14(2)5-4-11-17(12-8-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H
InChIKeyIDLQEUACTQMIHN-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
1-(4,4-dimethylazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 65281989
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(3,3-diethylpyrrolidin-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119782206
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride (CID 119803723) is (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is COC1(C(=O)N2CCCC(C)(C)CC2)CCNCC1.Cl.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The InChIKey is IDLQEUACTQMIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-14(2)5-4-11-17(12-8-14)13(18)15(19-3)6-9-16-10-7-15;/h16H,4-12H2,1-3H3;1H.
What are the key properties of (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119803723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).