(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

C15H20ClNO2 — CID 110602773

IUPAC(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-11-12-6-5-9-17(10-12)15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyPNHDRRXHFJMHRT-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.23
Rot. Bonds4

About (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone

(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (PubChem CID 110602773) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
PubChem CID110602773
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-19-11-12-6-5-9-17(10-12)15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyPNHDRRXHFJMHRT-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone
CID 71983295
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(2-ethylsulfanylphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505233
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone (CID 110602773) is (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is CCOCC1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is PNHDRRXHFJMHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-11-12-6-5-9-17(10-12)15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 281.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110602773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).