(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C19H28N2O2 — CID 119292106

IUPAC(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(N)CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/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/h5-8,17H,2-4,9-14,20H2,1H3
InChIKeyAKZXIJJTMIKWMO-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.03
Rot. Bonds3

About (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 119292106) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID119292106
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(N)CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/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/h5-8,17H,2-4,9-14,20H2,1H3
InChIKeyAKZXIJJTMIKWMO-UHFFFAOYSA-N
XLogP3.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
CID 138050980
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone
CID 59686436
2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 138033034
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
CID 119321409
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 119292106) is (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3(N)CCCCC3)CC2)cc1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is AKZXIJJTMIKWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/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/h5-8,17H,2-4,9-14,20H2,1H3.
What are the key properties of (1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.03, 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-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 119292106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).