(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone

C18H26N2O2 — CID 119290343

IUPAC(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESNC1(C(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H26N2O2/c19-18(11-5-2-6-12-18)17(21)20-13-9-16(10-14-20)22-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,19H2
InChIKeyVWDXMIYKYWLRPE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.72
Rot. Bonds3

About (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone

(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 119290343) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID119290343
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
SMILESNC1(C(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H26N2O2/c19-18(11-5-2-6-12-18)17(21)20-13-9-16(10-14-20)22-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,19H2
InChIKeyVWDXMIYKYWLRPE-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone (CID 119290343) is (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone is NC1(C(=O)N2CCC(Oc3ccccc3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is VWDXMIYKYWLRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-18(11-5-2-6-12-18)17(21)20-13-9-16(10-14-20)22-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,19H2.
What are the key properties of (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone?
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 119290343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).