1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone

C10H18ClNO2 — CID 112603948

IUPAC1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC(Cl)C1
InChIInChI=1S/C10H18ClNO2/c1-8(2)14-7-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7H2,1-2H3
InChIKeyWHFJISRGODCPGR-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone

1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112603948) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
PubChem CID112603948
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCC(Cl)C1
InChIInChI=1S/C10H18ClNO2/c1-8(2)14-7-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7H2,1-2H3
InChIKeyWHFJISRGODCPGR-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
CID 112700457
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
1-[4-(2-chloroethyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 112603944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone (CID 112603948) is 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCC(Cl)C1.
What is the InChIKey of 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is WHFJISRGODCPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(2)14-7-10(13)12-5-3-4-9(11)6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone?
1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 219.71 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112603948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).