3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride

C15H22ClFN2O — CID 19763371

IUPAC3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
SMILESCl.[H]/N=C/CCN1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O.ClH/c16-14-4-6-15(7-5-14)19-12-13-3-1-9-18(11-13)10-2-8-17;/h4-8,13,17H,1-3,9-12H2;1H/b17-8+;
InChIKeyHDSHWSMUFGGDAF-XIDBHWPPSA-N
MW300.80 g/mol
LogP3.38
Rot. Bonds6

About 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride

3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride (PubChem CID 19763371) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride.

Molecular Properties

Compound Name3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
PubChem CID19763371
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride
SMILESCl.[H]/N=C/CCN1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O.ClH/c16-14-4-6-15(7-5-14)19-12-13-3-1-9-18(11-13)10-2-8-17;/h4-8,13,17H,1-3,9-12H2;1H/b17-8+;
InChIKeyHDSHWSMUFGGDAF-XIDBHWPPSA-N
XLogP3.38
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride?
The IUPAC name of 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride (CID 19763371) is 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride.
What is the SMILES notation for 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride?
The canonical SMILES for 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride is Cl.[H]/N=C/CCN1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride?
The InChIKey is HDSHWSMUFGGDAF-XIDBHWPPSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c16-14-4-6-15(7-5-14)19-12-13-3-1-9-18(11-13)10-2-8-17;/h4-8,13,17H,1-3,9-12H2;1H/b17-8+;.
What are the key properties of 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride?
3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride has a molecular weight of 300.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propan-1-imine;hydrochloride is sourced from PubChem (CID 19763371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).