1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol

C10H18ClNO — CID 114511079

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(C/C=C/Cl)CCC1O
InChIInChI=1S/C10H18ClNO/c1-2-9-8-12(6-3-5-11)7-4-10(9)13/h3,5,9-10,13H,2,4,6-8H2,1H3/b5-3+
InChIKeyCAHARTMIIXPPRM-HWKANZROSA-N
MW203.71 g/mol
LogP1.83
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol

1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol (PubChem CID 114511079) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
PubChem CID114511079
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(C/C=C/Cl)CCC1O
InChIInChI=1S/C10H18ClNO/c1-2-9-8-12(6-3-5-11)7-4-10(9)13/h3,5,9-10,13H,2,4,6-8H2,1H3/b5-3+
InChIKeyCAHARTMIIXPPRM-HWKANZROSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-[(E)-3-chloroprop-2-enyl]piperidine-3,4-diol
CID 131231907
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylpiperidin-4-ol
CID 103161296
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol (CID 114511079) is 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol is CCC1CN(C/C=C/Cl)CCC1O.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol?
The InChIKey is CAHARTMIIXPPRM-HWKANZROSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-9-8-12(6-3-5-11)7-4-10(9)13/h3,5,9-10,13H,2,4,6-8H2,1H3/b5-3+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol?
1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol has a molecular weight of 203.71 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114511079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).