1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol

C10H20ClNO2 — CID 102964300

IUPAC1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCOCCCl)CC1O
InChIInChI=1S/C10H20ClNO2/c1-9-2-4-12(8-10(9)13)5-7-14-6-3-11/h9-10,13H,2-8H2,1H3
InChIKeyFRLUSSGCDKHGPO-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.94
Rot. Bonds5

About 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol

1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol (PubChem CID 102964300) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
PubChem CID102964300
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCOCCCl)CC1O
InChIInChI=1S/C10H20ClNO2/c1-9-2-4-12(8-10(9)13)5-7-14-6-3-11/h9-10,13H,2-8H2,1H3
InChIKeyFRLUSSGCDKHGPO-UHFFFAOYSA-N
XLogP0.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol
CID 106837357
(3R,4S)-4-methyl-1-(4-methyl-4-propoxypentyl)piperidin-3-ol
CID 142979977
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
CID 70949471
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol (CID 102964300) is 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol is CC1CCN(CCOCCCl)CC1O.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol?
The InChIKey is FRLUSSGCDKHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-9-2-4-12(8-10(9)13)5-7-14-6-3-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol?
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol has a molecular weight of 221.73 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102964300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).