4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol

C12H26N2O — CID 114510720

IUPAC4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)C(C)(CC)CN
InChIInChI=1S/C12H26N2O/c1-4-10-8-14-7-6-12(10,15)11(3,5-2)9-13/h10,14-15H,4-9,13H2,1-3H3
InChIKeyREJNSNBHAVBBTI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.11
Rot. Bonds4

About 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol

4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol (PubChem CID 114510720) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol
PubChem CID114510720
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)C(C)(CC)CN
InChIInChI=1S/C12H26N2O/c1-4-10-8-14-7-6-12(10,15)11(3,5-2)9-13/h10,14-15H,4-9,13H2,1-3H3
InChIKeyREJNSNBHAVBBTI-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol?
The IUPAC name of 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol (CID 114510720) is 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)C(C)(CC)CN.
What is the InChIKey of 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol?
The InChIKey is REJNSNBHAVBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10-8-14-7-6-12(10,15)11(3,5-2)9-13/h10,14-15H,4-9,13H2,1-3H3.
What are the key properties of 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol?
4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114510720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).