2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol

C13H27NO2 — CID 114495488

IUPAC2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
SMILESCCCOC1CCCN(CC(C)(O)CC)C1
InChIInChI=1S/C13H27NO2/c1-4-9-16-12-7-6-8-14(10-12)11-13(3,15)5-2/h12,15H,4-11H2,1-3H3
InChIKeyUINNUPDOTUOXCQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol

2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol (PubChem CID 114495488) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
PubChem CID114495488
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
SMILESCCCOC1CCCN(CC(C)(O)CC)C1
InChIInChI=1S/C13H27NO2/c1-4-9-16-12-7-6-8-14(10-12)11-13(3,15)5-2/h12,15H,4-11H2,1-3H3
InChIKeyUINNUPDOTUOXCQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)-3-propoxypiperidine
CID 65000316
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
CID 114496935
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol (CID 114495488) is 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol is CCCOC1CCCN(CC(C)(O)CC)C1.
What is the InChIKey of 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol?
The InChIKey is UINNUPDOTUOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-9-16-12-7-6-8-14(10-12)11-13(3,15)5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol?
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 114495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).