2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol

C13H27NO — CID 117020411

IUPAC2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(CCO)CC1(C)C
InChIInChI=1S/C13H27NO/c1-11(2)10-14-7-5-12(6-8-15)9-13(14,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeySHSUEYXOVMPJGF-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.52
Rot. Bonds4

About 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol

2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol (PubChem CID 117020411) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
PubChem CID117020411
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(CCO)CC1(C)C
InChIInChI=1S/C13H27NO/c1-11(2)10-14-7-5-12(6-8-15)9-13(14,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeySHSUEYXOVMPJGF-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[2,2-dimethyl-1-(1-phenylethyl)piperidin-4-yl]ethanol
CID 117020423
[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
CID 117017699
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117018914
2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
CID 117018507
4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466683
2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018513
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
ethane;4-[2-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethyl-1-(2-methylpropyl)piperazine
CID 166466682
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
CID 117020528
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol (CID 117020411) is 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol is CC(C)CN1CCC(CCO)CC1(C)C.
What is the InChIKey of 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol?
The InChIKey is SHSUEYXOVMPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-14-7-5-12(6-8-15)9-13(14,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol?
2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol has a molecular weight of 213.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 117020411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).