[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone

C17H25ClN2O — CID 83045411

IUPAC[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Cl)ccc1NCC
InChIInChI=1S/C17H25ClN2O/c1-3-7-14-8-5-6-11-20(14)17(21)15-12-13(18)9-10-16(15)19-4-2/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyPCHVJAPBWBTQFK-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.57
Rot. Bonds5

About [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone

[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 83045411) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID83045411
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Cl)ccc1NCC
InChIInChI=1S/C17H25ClN2O/c1-3-7-14-8-5-6-11-20(14)17(21)15-12-13(18)9-10-16(15)19-4-2/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyPCHVJAPBWBTQFK-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
(5-chloro-2-hydrazinylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83061992
(5-chloro-2-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053352
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[5-chloro-2-(methylamino)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637953
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
(2-fluoro-5-sulfanylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107033947
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone (CID 83045411) is [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(Cl)ccc1NCC.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is PCHVJAPBWBTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-7-14-8-5-6-11-20(14)17(21)15-12-13(18)9-10-16(15)19-4-2/h9-10,12,14,19H,3-8,11H2,1-2H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 308.85 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83045411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).