[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol

C16H25FN2O — CID 43590500

IUPAC[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCCCNCc1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-2-7-18-10-13-5-6-16(15(17)9-13)19-8-3-4-14(11-19)12-20/h5-6,9,14,18,20H,2-4,7-8,10-12H2,1H3
InChIKeyJUPVWROIVIRGIA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.53
Rot. Bonds6

About [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol

[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol (PubChem CID 43590500) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
PubChem CID43590500
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCCCNCc1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-2-7-18-10-13-5-6-16(15(17)9-13)19-8-3-4-14(11-19)12-20/h5-6,9,14,18,20H,2-4,7-8,10-12H2,1H3
InChIKeyJUPVWROIVIRGIA-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626609
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 63633766
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43280798
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
CID 63052099
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-fluorophenyl]methyl]ethanamine
CID 43620596

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol (CID 43590500) is [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol is CCCNCc1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is JUPVWROIVIRGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-7-18-10-13-5-6-16(15(17)9-13)19-8-3-4-14(11-19)12-20/h5-6,9,14,18,20H,2-4,7-8,10-12H2,1H3.
What are the key properties of [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).