1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

C14H21FN2O — CID 39356001

IUPAC1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16,18H,6-11H2,1H3
InChIKeyTWAAPKKGYMOUFS-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.37
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol

1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 39356001) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID39356001
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16,18H,6-11H2,1H3
InChIKeyTWAAPKKGYMOUFS-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol (CID 39356001) is 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is TWAAPKKGYMOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-11-14(18)6-8-17(9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16,18H,6-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 252.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 39356001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).