2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol

C11H20ClNO — CID 103067586

IUPAC2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol
SMILESC=C(CCl)CN1CCCCC1CCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h11,14H,1-9H2
InChIKeyIKNJZGTVDOZZBT-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.02
Rot. Bonds5

About 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol

2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol (PubChem CID 103067586) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol
PubChem CID103067586
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol
SMILESC=C(CCl)CN1CCCCC1CCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h11,14H,1-9H2
InChIKeyIKNJZGTVDOZZBT-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-Chloropropyl)piperidin-2-yl]ethanol
CID 18789473
2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
2-[1-(3-Methylbut-2-enyl)piperidin-2-yl]ethanol
CID 60690496
2-[1-(5-Chloropentyl)piperidin-2-yl]ethanol
CID 61286702
2-[1-(4-Chlorobutyl)piperidin-2-yl]ethanol
CID 61750019
2-[1-(6-Chlorohexyl)piperidin-2-yl]ethanol
CID 62228381
2-[1-(3-Chloro-2-methylpropyl)piperidin-2-yl]ethanol
CID 64232082
2-[1-(2-Methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
2-[1-(4-Chlorobut-2-enyl)piperidin-2-yl]ethanol
CID 77051792
2-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol (CID 103067586) is 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol is C=C(CCl)CN1CCCCC1CCO.
What is the InChIKey of 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol?
The InChIKey is IKNJZGTVDOZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-3-2-4-11(13)5-7-14/h11,14H,1-9H2.
What are the key properties of 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol?
2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol has a molecular weight of 217.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(chloromethyl)prop-2-enyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 103067586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).