4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol

C13H27NO2 — CID 103898055

IUPAC4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
SMILESCC(C)CCOCCN1CCC(C)C(O)C1
InChIInChI=1S/C13H27NO2/c1-11(2)5-8-16-9-7-14-6-4-12(3)13(15)10-14/h11-13,15H,4-10H2,1-3H3
InChIKeyKNEGAYMTWUBZRV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.75
Rot. Bonds6

About 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol

4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol (PubChem CID 103898055) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
PubChem CID103898055
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
SMILESCC(C)CCOCCN1CCC(C)C(O)C1
InChIInChI=1S/C13H27NO2/c1-11(2)5-8-16-9-7-14-6-4-12(3)13(15)10-14/h11-13,15H,4-10H2,1-3H3
InChIKeyKNEGAYMTWUBZRV-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol (CID 103898055) is 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol is CC(C)CCOCCN1CCC(C)C(O)C1.
What is the InChIKey of 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol?
The InChIKey is KNEGAYMTWUBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)5-8-16-9-7-14-6-4-12(3)13(15)10-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol?
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 103898055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).