2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol

C13H27NO2 — CID 170065086

IUPAC2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol
SMILESCC(C)COC1CCN(C(O)C(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-10(2)9-16-12-5-7-14(8-6-12)13(15)11(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyWQKBREQZDPGYPV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol

2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol (PubChem CID 170065086) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol
PubChem CID170065086
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol
SMILESCC(C)COC1CCN(C(O)C(C)C)CC1
InChIInChI=1S/C13H27NO2/c1-10(2)9-16-12-5-7-14(8-6-12)13(15)11(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyWQKBREQZDPGYPV-UHFFFAOYSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
CID 110899763
2-amino-2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-one
CID 83625811
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
1-ethyl-4-[4-(2-methylpropoxy)cyclohexyl]piperazine
CID 171508679
[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119300129
1-[4-(4-methylcyclohexyl)cyclohexyl]oxypropan-2-ol;1-methyl-4-[4-(2-methylpropoxy)cyclohexyl]cyclohexane
CID 54211881
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
1-cyclododecyloxypropan-2-ol
CID 54403914
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 87022044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol (CID 170065086) is 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol is CC(C)COC1CCN(C(O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol?
The InChIKey is WQKBREQZDPGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)9-16-12-5-7-14(8-6-12)13(15)11(3)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol?
2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 170065086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).