1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol

C10H22N2O — CID 164661529

IUPAC1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
SMILESCC1CCN(C(C)C(O)CN)CC1
InChIInChI=1S/C10H22N2O/c1-8-3-5-12(6-4-8)9(2)10(13)7-11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyJJFYNHAUARBHHO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds3

About 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol

1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol (PubChem CID 164661529) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
PubChem CID164661529
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
SMILESCC1CCN(C(C)C(O)CN)CC1
InChIInChI=1S/C10H22N2O/c1-8-3-5-12(6-4-8)9(2)10(13)7-11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyJJFYNHAUARBHHO-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol (CID 164661529) is 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol is CC1CCN(C(C)C(O)CN)CC1.
What is the InChIKey of 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol?
The InChIKey is JJFYNHAUARBHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-3-5-12(6-4-8)9(2)10(13)7-11/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol?
1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 164661529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).