1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone

C12H20ClNO2 — CID 126834278

IUPAC1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCC=C(Cl)C1
InChIInChI=1S/C12H20ClNO2/c1-2-3-4-8-16-10-12(15)14-7-5-6-11(13)9-14/h6H,2-5,7-10H2,1H3
InChIKeyGPQWIFDLXGSEAQ-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.55
Rot. Bonds6

About 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone

1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone (PubChem CID 126834278) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone.

Molecular Properties

Compound Name1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone
PubChem CID126834278
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCC=C(Cl)C1
InChIInChI=1S/C12H20ClNO2/c1-2-3-4-8-16-10-12(15)14-7-5-6-11(13)9-14/h6H,2-5,7-10H2,1H3
InChIKeyGPQWIFDLXGSEAQ-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethylidene)piperidin-1-yl]-2-pentoxyethanone
CID 126833755
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-(4-ethynyl-4-hydroxypiperidin-1-yl)-2-pentoxyethanone
CID 126833813
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
CID 126837154
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
CID 127267487
(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
CID 126799742

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone?
The IUPAC name of 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone (CID 126834278) is 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone.
What is the SMILES notation for 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone?
The canonical SMILES for 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone is CCCCCOCC(=O)N1CCC=C(Cl)C1.
What is the InChIKey of 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone?
The InChIKey is GPQWIFDLXGSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-2-3-4-8-16-10-12(15)14-7-5-6-11(13)9-14/h6H,2-5,7-10H2,1H3.
What are the key properties of 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone?
1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone has a molecular weight of 245.75 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,6-dihydro-2H-pyridin-1-yl)-2-pentoxyethanone is sourced from PubChem (CID 126834278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).