(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C15H20Cl2N2O — CID 80551581

IUPAC(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-18-10-11-5-7-19(8-6-11)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeySXPDKKMLMLMZDM-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.46
Rot. Bonds4

About (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 80551581) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID80551581
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-18-10-11-5-7-19(8-6-11)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeySXPDKKMLMLMZDM-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-propan-2-yloxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644440
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
3-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647198
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 80551581) is (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is SXPDKKMLMLMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-18-10-11-5-7-19(8-6-11)15(20)13-9-12(16)3-4-14(13)17/h3-4,9,11,18H,2,5-8,10H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 315.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).