[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol

C14H21FN2O — CID 43590160

IUPAC[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
SMILESNCc1ccc(F)c(CN2CCCC(CO)C2)c1
InChIInChI=1S/C14H21FN2O/c15-14-4-3-11(7-16)6-13(14)9-17-5-1-2-12(8-17)10-18/h3-4,6,12,18H,1-2,5,7-10,16H2
InChIKeyDTAKMSTWRCQORZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.49
Rot. Bonds4

About [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol

[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol (PubChem CID 43590160) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
PubChem CID43590160
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
SMILESNCc1ccc(F)c(CN2CCCC(CO)C2)c1
InChIInChI=1S/C14H21FN2O/c15-14-4-3-11(7-16)6-13(14)9-17-5-1-2-12(8-17)10-18/h3-4,6,12,18H,1-2,5,7-10,16H2
InChIKeyDTAKMSTWRCQORZ-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
4-fluoro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 43403794
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
2-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 107879202
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81199439
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
CID 99943301

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol (CID 43590160) is [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol is NCc1ccc(F)c(CN2CCCC(CO)C2)c1.
What is the InChIKey of [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is DTAKMSTWRCQORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-14-4-3-11(7-16)6-13(14)9-17-5-1-2-12(8-17)10-18/h3-4,6,12,18H,1-2,5,7-10,16H2.
What are the key properties of [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol?
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 252.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).