3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

C12H26N2O2 — CID 102968981

IUPAC3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOC1CCCN(CC(CO)NC(C)C)C1
InChIInChI=1S/C12H26N2O2/c1-10(2)13-11(9-15)7-14-6-4-5-12(8-14)16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyLMVQGSRKHVPFKZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

About 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 102968981) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID102968981
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOC1CCCN(CC(CO)NC(C)C)C1
InChIInChI=1S/C12H26N2O2/c1-10(2)13-11(9-15)7-14-6-4-5-12(8-14)16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyLMVQGSRKHVPFKZ-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 102968981) is 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is COC1CCCN(CC(CO)NC(C)C)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is LMVQGSRKHVPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)13-11(9-15)7-14-6-4-5-12(8-14)16-3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 102968981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).