1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol

C16H25FN2O — CID 59036687

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-18-11-16(20)12-19-8-6-14(7-9-19)10-13-2-4-15(17)5-3-13/h2-5,14,16,18,20H,6-12H2,1H3
InChIKeyTYZGASXQVUVFHZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol (PubChem CID 59036687) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol
PubChem CID59036687
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-18-11-16(20)12-19-8-6-14(7-9-19)10-13-2-4-15(17)5-3-13/h2-5,14,16,18,20H,6-12H2,1H3
InChIKeyTYZGASXQVUVFHZ-UHFFFAOYSA-N
XLogP1.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol (CID 59036687) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol is CNCC(O)CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol?
The InChIKey is TYZGASXQVUVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18-11-16(20)12-19-8-6-14(7-9-19)10-13-2-4-15(17)5-3-13/h2-5,14,16,18,20H,6-12H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol?
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 59036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).