(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride

C19H35ClN2O2 — CID 119321409

IUPAC(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
SMILESCC1CCC(OC2CCN(C(=O)C3(N)CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C19H34N2O2.ClH/c1-15-5-7-16(8-6-15)23-17-9-13-21(14-10-17)18(22)19(20)11-3-2-4-12-19;/h15-17H,2-14,20H2,1H3;1H
InChIKeyDXKACXBVCWXVMQ-UHFFFAOYSA-N
MW358.95 g/mol
LogP3.66
Rot. Bonds3

About (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride

(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride (PubChem CID 119321409) has the molecular formula C19H35ClN2O2 and a molecular weight of 358.95 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
PubChem CID119321409
Molecular FormulaC19H35ClN2O2
Molecular Weight358.95 g/mol
Exact Mass358.24
IUPAC Name(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
SMILESCC1CCC(OC2CCN(C(=O)C3(N)CCCCC3)CC2)CC1.Cl
InChIInChI=1S/C19H34N2O2.ClH/c1-15-5-7-16(8-6-15)23-17-9-13-21(14-10-17)18(22)19(20)11-3-2-4-12-19;/h15-17H,2-14,20H2,1H3;1H
InChIKeyDXKACXBVCWXVMQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328203
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride (CID 119321409) is (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride is CC1CCC(OC2CCN(C(=O)C3(N)CCCCC3)CC2)CC1.Cl.
What is the InChIKey of (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
The InChIKey is DXKACXBVCWXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2.ClH/c1-15-5-7-16(8-6-15)23-17-9-13-21(14-10-17)18(22)19(20)11-3-2-4-12-19;/h15-17H,2-14,20H2,1H3;1H.
What are the key properties of (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride?
(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride has a molecular weight of 358.95 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119321409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).