1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride

C17H27ClF2N2O — CID 18511685

IUPAC1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride
SMILESCCNC1CCN(CCCCOc2ccc(F)c(F)c2)CC1.Cl
InChIInChI=1S/C17H26F2N2O.ClH/c1-2-20-14-7-10-21(11-8-14)9-3-4-12-22-15-5-6-16(18)17(19)13-15;/h5-6,13-14,20H,2-4,7-12H2,1H3;1H
InChIKeyLCIHPOJFIMJUST-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.62
Rot. Bonds8

About 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride

1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride (PubChem CID 18511685) has the molecular formula C17H27ClF2N2O and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride
PubChem CID18511685
Molecular FormulaC17H27ClF2N2O
Molecular Weight348.87 g/mol
Exact Mass348.18
IUPAC Name1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride
SMILESCCNC1CCN(CCCCOc2ccc(F)c(F)c2)CC1.Cl
InChIInChI=1S/C17H26F2N2O.ClH/c1-2-20-14-7-10-21(11-8-14)9-3-4-12-22-15-5-6-16(18)17(19)13-15;/h5-6,13-14,20H,2-4,7-12H2,1H3;1H
InChIKeyLCIHPOJFIMJUST-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride (CID 18511685) is 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride is CCNC1CCN(CCCCOc2ccc(F)c(F)c2)CC1.Cl.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride?
The InChIKey is LCIHPOJFIMJUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O.ClH/c1-2-20-14-7-10-21(11-8-14)9-3-4-12-22-15-5-6-16(18)17(19)13-15;/h5-6,13-14,20H,2-4,7-12H2,1H3;1H.
What are the key properties of 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride?
1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)butyl]-N-ethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 18511685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).