1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C15H23ClF2N2 — CID 120851606

IUPAC1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(c2c(F)cccc2F)CC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-15(2,18)10-19-8-6-11(7-9-19)14-12(16)4-3-5-13(14)17;/h3-5,11H,6-10,18H2,1-2H3;1H
InChIKeyKTDZKDRZCCFIQN-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120851606) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120851606
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC Name1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(c2c(F)cccc2F)CC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-15(2,18)10-19-8-6-11(7-9-19)14-12(16)4-3-5-13(14)17;/h3-5,11H,6-10,18H2,1-2H3;1H
InChIKeyKTDZKDRZCCFIQN-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120851606) is 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCC(c2c(F)cccc2F)CC1.Cl.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is KTDZKDRZCCFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-15(2,18)10-19-8-6-11(7-9-19)14-12(16)4-3-5-13(14)17;/h3-5,11H,6-10,18H2,1-2H3;1H.
What are the key properties of 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120851606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).