2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate

C11H21FN2O3 — CID 167847430

IUPAC2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate
SMILESO=C(NC[C@H](O)CN1CCCCC1)OCCF
InChIInChI=1S/C11H21FN2O3/c12-4-7-17-11(16)13-8-10(15)9-14-5-2-1-3-6-14/h10,15H,1-9H2,(H,13,16)/t10-/m0/s1
InChIKeyWIGPGHPNUGDSJK-JTQLQIEISA-N
MW248.30 g/mol
LogP0.53
Rot. Bonds6

About 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate

2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate (PubChem CID 167847430) has the molecular formula C11H21FN2O3 and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate
PubChem CID167847430
Molecular FormulaC11H21FN2O3
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate
SMILESO=C(NC[C@H](O)CN1CCCCC1)OCCF
InChIInChI=1S/C11H21FN2O3/c12-4-7-17-11(16)13-8-10(15)9-14-5-2-1-3-6-14/h10,15H,1-9H2,(H,13,16)/t10-/m0/s1
InChIKeyWIGPGHPNUGDSJK-JTQLQIEISA-N
XLogP0.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate (CID 167847430) is 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate is O=C(NC[C@H](O)CN1CCCCC1)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate?
The InChIKey is WIGPGHPNUGDSJK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21FN2O3/c12-4-7-17-11(16)13-8-10(15)9-14-5-2-1-3-6-14/h10,15H,1-9H2,(H,13,16)/t10-/m0/s1.
What are the key properties of 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate?
2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate has a molecular weight of 248.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]carbamate is sourced from PubChem (CID 167847430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).