2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol

C14H29NO2 — CID 62358329

IUPAC2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
SMILESCC(C)CCOCCN1CCCC(CCO)C1
InChIInChI=1S/C14H29NO2/c1-13(2)6-10-17-11-8-15-7-3-4-14(12-15)5-9-16/h13-14,16H,3-12H2,1-2H3
InChIKeyLZKWBLLFCPORNI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds8

About 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol

2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol (PubChem CID 62358329) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
PubChem CID62358329
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
SMILESCC(C)CCOCCN1CCCC(CCO)C1
InChIInChI=1S/C14H29NO2/c1-13(2)6-10-17-11-8-15-7-3-4-14(12-15)5-9-16/h13-14,16H,3-12H2,1-2H3
InChIKeyLZKWBLLFCPORNI-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
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

2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
CID 63854629
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol (CID 62358329) is 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol is CC(C)CCOCCN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol?
The InChIKey is LZKWBLLFCPORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2)6-10-17-11-8-15-7-3-4-14(12-15)5-9-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol?
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62358329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).