(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone

C19H28N2O2 — CID 119945352

IUPAC(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
SMILESCC1CCC(OC2CCN(C(=O)c3ccccc3N)CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-14-6-8-15(9-7-14)23-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-5,14-16H,6-13,20H2,1H3
InChIKeyPLJNUOXJYSPTED-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds3

About (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone

(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone (PubChem CID 119945352) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
PubChem CID119945352
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
SMILESCC1CCC(OC2CCN(C(=O)c3ccccc3N)CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-14-6-8-15(9-7-14)23-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-5,14-16H,6-13,20H2,1H3
InChIKeyPLJNUOXJYSPTED-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(4-methylcyclohexyl) 2-aminobenzoate
CID 543969
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
N-[1-(2-aminobenzoyl)piperidin-4-yl]-N-methylethanesulfonamide;hydrochloride
CID 119945365
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone (CID 119945352) is (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone is CC1CCC(OC2CCN(C(=O)c3ccccc3N)CC2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone?
The InChIKey is PLJNUOXJYSPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-6-8-15(9-7-14)23-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-5,14-16H,6-13,20H2,1H3.
What are the key properties of (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone?
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 119945352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).