3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol

C12H25FN2O — CID 175467627

IUPAC3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol
SMILESCCC1(F)CCN(C(C)(C)C)CC1(O)CN
InChIInChI=1S/C12H25FN2O/c1-5-11(13)6-7-15(10(2,3)4)9-12(11,16)8-14/h16H,5-9,14H2,1-4H3
InChIKeyMQXNBEWMXXCERV-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.30
Rot. Bonds2

About 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol

3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol (PubChem CID 175467627) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol
PubChem CID175467627
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Name3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol
SMILESCCC1(F)CCN(C(C)(C)C)CC1(O)CN
InChIInChI=1S/C12H25FN2O/c1-5-11(13)6-7-15(10(2,3)4)9-12(11,16)8-14/h16H,5-9,14H2,1-4H3
InChIKeyMQXNBEWMXXCERV-UHFFFAOYSA-N
XLogP1.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol (CID 175467627) is 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol is CCC1(F)CCN(C(C)(C)C)CC1(O)CN.
What is the InChIKey of 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol?
The InChIKey is MQXNBEWMXXCERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c1-5-11(13)6-7-15(10(2,3)4)9-12(11,16)8-14/h16H,5-9,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol?
3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol has a molecular weight of 232.34 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol is sourced from PubChem (CID 175467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).