[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol

C14H21FN2O — CID 43590359

IUPAC[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol
SMILESCC(N)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-4-5-14(13(15)7-12)17-6-2-3-11(8-17)9-18/h4-5,7,10-11,18H,2-3,6,8-9,16H2,1H3
InChIKeyBMSGQQBPKOTUHJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.05
Rot. Bonds3

About [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol

[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol (PubChem CID 43590359) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol
PubChem CID43590359
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol
SMILESCC(N)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)12-4-5-14(13(15)7-12)17-6-2-3-11(8-17)9-18/h4-5,7,10-11,18H,2-3,6,8-9,16H2,1H3
InChIKeyBMSGQQBPKOTUHJ-UHFFFAOYSA-N
XLogP2.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol (CID 43590359) is [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol is CC(N)c1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol?
The InChIKey is BMSGQQBPKOTUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)12-4-5-14(13(15)7-12)17-6-2-3-11(8-17)9-18/h4-5,7,10-11,18H,2-3,6,8-9,16H2,1H3.
What are the key properties of [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol?
[1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol has a molecular weight of 252.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).