[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride

C19H21ClF2N2O2 — CID 119296579

IUPAC[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-15-5-6-18(17(21)11-15)25-16-7-9-23(10-8-16)19(24)14-3-1-13(12-22)2-4-14;/h1-6,11,16H,7-10,12,22H2;1H
InChIKeyRUAGHSOBGXSGGM-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.53
Rot. Bonds4

About [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride

[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119296579) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
PubChem CID119296579
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-15-5-6-18(17(21)11-15)25-16-7-9-23(10-8-16)19(24)14-3-1-13(12-22)2-4-14;/h1-6,11,16H,7-10,12,22H2;1H
InChIKeyRUAGHSOBGXSGGM-UHFFFAOYSA-N
XLogP3.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride (CID 119296579) is [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is RUAGHSOBGXSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2.ClH/c20-15-5-6-18(17(21)11-15)25-16-7-9-23(10-8-16)19(24)14-3-1-13(12-22)2-4-14;/h1-6,11,16H,7-10,12,22H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119296579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).