3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol

C16H24ClFN2O — CID 111381510

IUPAC3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2O/c1-19(8-3-11-21)13-6-9-20(10-7-13)12-14-15(17)4-2-5-16(14)18/h2,4-5,13,21H,3,6-12H2,1H3
InChIKeyDDYNBZJKOXVUJE-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.76
Rot. Bonds6

About 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol

3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol (PubChem CID 111381510) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
PubChem CID111381510
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2O/c1-19(8-3-11-21)13-6-9-20(10-7-13)12-14-15(17)4-2-5-16(14)18/h2,4-5,13,21H,3,6-12H2,1H3
InChIKeyDDYNBZJKOXVUJE-UHFFFAOYSA-N
XLogP2.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol with MolForge

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171336100
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650160
[4-[3-(2-chloro-6-fluorophenyl)propyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166234702
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 6734114
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol (CID 111381510) is 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol is CN(CCCO)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is DDYNBZJKOXVUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-19(8-3-11-21)13-6-9-20(10-7-13)12-14-15(17)4-2-5-16(14)18/h2,4-5,13,21H,3,6-12H2,1H3.
What are the key properties of 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol?
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 314.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 111381510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).