(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride

C18H26ClFN2O2 — CID 119308982

IUPAC(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCCCC1
InChIInChI=1S/C18H25FN2O2.ClH/c19-14-4-6-15(7-5-14)23-16-8-12-21(13-9-16)17(22)18(20)10-2-1-3-11-18;/h4-7,16H,1-3,8-13,20H2;1H
InChIKeyAYBQXHHUUMJMRP-UHFFFAOYSA-N
MW356.87 g/mol
LogP3.28
Rot. Bonds3

About (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride

(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119308982) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
PubChem CID119308982
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCCCC1
InChIInChI=1S/C18H25FN2O2.ClH/c19-14-4-6-15(7-5-14)23-16-8-12-21(13-9-16)17(22)18(20)10-2-1-3-11-18;/h4-7,16H,1-3,8-13,20H2;1H
InChIKeyAYBQXHHUUMJMRP-UHFFFAOYSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride (CID 119308982) is (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is AYBQXHHUUMJMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c19-14-4-6-15(7-5-14)23-16-8-12-21(13-9-16)17(22)18(20)10-2-1-3-11-18;/h4-7,16H,1-3,8-13,20H2;1H.
What are the key properties of (1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 3.28, 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-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119308982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).