4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol

C9H20N2O — CID 165446656

IUPAC4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol
SMILESCC1CC(O)(C(C)CN)CCN1
InChIInChI=1S/C9H20N2O/c1-7(6-10)9(12)3-4-11-8(2)5-9/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyIUWCZGXLSNRDJH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.08
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol

4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol (PubChem CID 165446656) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol
PubChem CID165446656
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol
SMILESCC1CC(O)(C(C)CN)CCN1
InChIInChI=1S/C9H20N2O/c1-7(6-10)9(12)3-4-11-8(2)5-9/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyIUWCZGXLSNRDJH-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol (CID 165446656) is 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol is CC1CC(O)(C(C)CN)CCN1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol?
The InChIKey is IUWCZGXLSNRDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(6-10)9(12)3-4-11-8(2)5-9/h7-8,11-12H,3-6,10H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol?
4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol is sourced from PubChem (CID 165446656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).