[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol

C12H26N2O2 — CID 62543659

IUPAC[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(NCCOC)CC1
InChIInChI=1S/C12H26N2O2/c1-3-7-14-8-4-12(11-15,5-9-14)13-6-10-16-2/h13,15H,3-11H2,1-2H3
InChIKeyCFDRJOCLOGHSDY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds7

About [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol

[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol (PubChem CID 62543659) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol
PubChem CID62543659
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(NCCOC)CC1
InChIInChI=1S/C12H26N2O2/c1-3-7-14-8-4-12(11-15,5-9-14)13-6-10-16-2/h13,15H,3-11H2,1-2H3
InChIKeyCFDRJOCLOGHSDY-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol?
The IUPAC name of [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol (CID 62543659) is [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol is CCCN1CCC(CO)(NCCOC)CC1.
What is the InChIKey of [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol?
The InChIKey is CFDRJOCLOGHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-7-14-8-4-12(11-15,5-9-14)13-6-10-16-2/h13,15H,3-11H2,1-2H3.
What are the key properties of [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol?
[4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethylamino)-1-propylpiperidin-4-yl]methanol is sourced from PubChem (CID 62543659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).