[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone

C16H22ClNO2 — CID 82701909

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(OCCCl)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-13-5-3-4-6-15(13)16(19)18-10-7-14(8-11-18)20-12-9-17/h3-6,14H,2,7-12H2,1H3
InChIKeyIEEFSVYUJHZIGG-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.11
Rot. Bonds5

About [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone (PubChem CID 82701909) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
PubChem CID82701909
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(OCCCl)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-13-5-3-4-6-15(13)16(19)18-10-7-14(8-11-18)20-12-9-17/h3-6,14H,2,7-12H2,1H3
InChIKeyIEEFSVYUJHZIGG-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.11
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

[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
[4-(2-chloroethoxy)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 82701395
1-[2-[(3R)-3-(3-methylbutoxy)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 96784337
2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
CID 120963460

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone (CID 82701909) is [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)N1CCC(OCCCl)CC1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone?
The InChIKey is IEEFSVYUJHZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-13-5-3-4-6-15(13)16(19)18-10-7-14(8-11-18)20-12-9-17/h3-6,14H,2,7-12H2,1H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone has a molecular weight of 295.81 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone is sourced from PubChem (CID 82701909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).