4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol

C12H26N2O — CID 79135293

IUPAC4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol
SMILESCCC(CN)C1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-11(9-13)12(15)5-7-14(8-6-12)10(2)3/h10-11,15H,4-9,13H2,1-3H3
InChIKeyBYKCBEVKGNQJPK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds4

About 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol

4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 79135293) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol
PubChem CID79135293
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol
SMILESCCC(CN)C1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-11(9-13)12(15)5-7-14(8-6-12)10(2)3/h10-11,15H,4-9,13H2,1-3H3
InChIKeyBYKCBEVKGNQJPK-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol (CID 79135293) is 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol is CCC(CN)C1(O)CCN(C(C)C)CC1.
What is the InChIKey of 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is BYKCBEVKGNQJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-11(9-13)12(15)5-7-14(8-6-12)10(2)3/h10-11,15H,4-9,13H2,1-3H3.
What are the key properties of 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol?
4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 79135293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).