2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone

C18H27FN2O2 — CID 91765336

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1CCCO)Cc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c1-20(13-15-7-2-3-10-17(15)19)14-18(23)21-11-5-4-8-16(21)9-6-12-22/h2-3,7,10,16,22H,4-6,8-9,11-14H2,1H3
InChIKeyQRXVDCNTCWZYFB-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.41
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone

2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 91765336) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID91765336
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1CCCO)Cc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c1-20(13-15-7-2-3-10-17(15)19)14-18(23)21-11-5-4-8-16(21)9-6-12-22/h2-3,7,10,16,22H,4-6,8-9,11-14H2,1H3
InChIKeyQRXVDCNTCWZYFB-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone (CID 91765336) is 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCCCC1CCCO)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is QRXVDCNTCWZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-20(13-15-7-2-3-10-17(15)19)14-18(23)21-11-5-4-8-16(21)9-6-12-22/h2-3,7,10,16,22H,4-6,8-9,11-14H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone?
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone has a molecular weight of 322.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91765336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).