1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride

C10H18ClNO — CID 159798252

IUPAC1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
SMILESC=CCN1CCC(C(C)=O)CC1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-3-6-11-7-4-10(5-8-11)9(2)12;/h3,10H,1,4-8H2,2H3;1H
InChIKeyLVYZCFYQPXKMLJ-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.90
Rot. Bonds3

About 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride

1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride (PubChem CID 159798252) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
PubChem CID159798252
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
SMILESC=CCN1CCC(C(C)=O)CC1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-3-6-11-7-4-10(5-8-11)9(2)12;/h3,10H,1,4-8H2,2H3;1H
InChIKeyLVYZCFYQPXKMLJ-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
2-(4-acetylpiperidin-1-yl)acetamide
CID 59463755
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-prop-2-enylpiperidine;urea
CID 66978518
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
nitric acid;1-prop-2-enylpiperidin-4-ol
CID 70399026

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride (CID 159798252) is 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride is C=CCN1CCC(C(C)=O)CC1.Cl.
What is the InChIKey of 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride?
The InChIKey is LVYZCFYQPXKMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-3-6-11-7-4-10(5-8-11)9(2)12;/h3,10H,1,4-8H2,2H3;1H.
What are the key properties of 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride?
1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 159798252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).