2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol

C22H29FN2O2 — CID 45209442

IUPAC2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
SMILESCN(Cc1ccccc1OCCO)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H29FN2O2/c1-24(15-19-8-3-5-11-22(19)27-14-13-26)20-9-6-12-25(17-20)16-18-7-2-4-10-21(18)23/h2-5,7-8,10-11,20,26H,6,9,12-17H2,1H3
InChIKeyPIKXYCRPAADSMP-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.29
Rot. Bonds8

About 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol

2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol (PubChem CID 45209442) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
PubChem CID45209442
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
SMILESCN(Cc1ccccc1OCCO)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H29FN2O2/c1-24(15-19-8-3-5-11-22(19)27-14-13-26)20-9-6-12-25(17-20)16-18-7-2-4-10-21(18)23/h2-5,7-8,10-11,20,26H,6,9,12-17H2,1H3
InChIKeyPIKXYCRPAADSMP-UHFFFAOYSA-N
XLogP3.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
CID 51633841
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26335964
2-[2-[[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 42213563
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
CID 23723336
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol (CID 45209442) is 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol is CN(Cc1ccccc1OCCO)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol?
The InChIKey is PIKXYCRPAADSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-24(15-19-8-3-5-11-22(19)27-14-13-26)20-9-6-12-25(17-20)16-18-7-2-4-10-21(18)23/h2-5,7-8,10-11,20,26H,6,9,12-17H2,1H3.
What are the key properties of 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol?
2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol has a molecular weight of 372.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 45209442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).