2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol

C14H29NO — CID 134256232

IUPAC2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol
SMILESCCC(C)(C)CCC1CCN(CCO)CC1
InChIInChI=1S/C14H29NO/c1-4-14(2,3)8-5-13-6-9-15(10-7-13)11-12-16/h13,16H,4-12H2,1-3H3
InChIKeyPXYIZSPIMILYES-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol

2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol (PubChem CID 134256232) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol
PubChem CID134256232
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol
SMILESCCC(C)(C)CCC1CCN(CCO)CC1
InChIInChI=1S/C14H29NO/c1-4-14(2,3)8-5-13-6-9-15(10-7-13)11-12-16/h13,16H,4-12H2,1-3H3
InChIKeyPXYIZSPIMILYES-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
2-(4-nonylpiperidin-1-yl)ethanol;hydrochloride
CID 71395103
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
3,3-dimethylpentyl 3-[4-[3-[1-[3-(3,3-dimethylpentoxy)-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanoate
CID 123904684
cyclobutanol;ethane;2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanol;propane
CID 156719822
2-[4-(2-aminooxyethyl)piperidin-1-yl]ethanol
CID 89024764
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
2-(4-aminopiperidin-1-yl)ethanol
CID 15733445
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol (CID 134256232) is 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol is CCC(C)(C)CCC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol?
The InChIKey is PXYIZSPIMILYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-14(2,3)8-5-13-6-9-15(10-7-13)11-12-16/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol?
2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 134256232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).