(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C14H18Cl2N2O — CID 100804437

IUPAC(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-9(2)7-18(6-8)14(19)10-4-13(17)12(16)5-11(10)15/h4-5,8-9H,3,6-7,17H2,1-2H3/t8-,9-/m0/s1
InChIKeyHYGYXKRQAXFLDX-IUCAKERBSA-N
MW301.22 g/mol
LogP3.69
Rot. Bonds1

About (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 100804437) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID100804437
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-9(2)7-18(6-8)14(19)10-4-13(17)12(16)5-11(10)15/h4-5,8-9H,3,6-7,17H2,1-2H3/t8-,9-/m0/s1
InChIKeyHYGYXKRQAXFLDX-IUCAKERBSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4,5-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 29056304
(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 81235790
(3-amino-5-methylpiperidin-1-yl)-(2-chloro-5-methylsulfanylphenyl)methanone
CID 79994151
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 114921944
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(4-amino-5-chloro-2-methylphenyl)-(3-fluoropyrrolidin-1-yl)methanone
CID 90104075
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91683039
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 100804437) is (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@H]1C[C@H](C)CN(C(=O)c2cc(N)c(Cl)cc2Cl)C1.
What is the InChIKey of (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is HYGYXKRQAXFLDX-IUCAKERBSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8-3-9(2)7-18(6-8)14(19)10-4-13(17)12(16)5-11(10)15/h4-5,8-9H,3,6-7,17H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 301.22 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 100804437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).