(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H23ClN2O — CID 115930537

IUPAC(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(4-2)8-10-19(11-9-16)15(20)12-6-5-7-13(18)14(12)17/h5-7H,3-4,8-11,18H2,1-2H3
InChIKeyZLKMTZVMCDCNQU-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.96
Rot. Bonds3

About (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 115930537) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID115930537
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(4-2)8-10-19(11-9-16)15(20)12-6-5-7-13(18)14(12)17/h5-7H,3-4,8-11,18H2,1-2H3
InChIKeyZLKMTZVMCDCNQU-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.96
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

(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(2-amino-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63162097
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
(3-amino-2-chlorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210160
(3-amino-2-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 115930560
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 115930537) is (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cccc(N)c2Cl)CC1.
What is the InChIKey of (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is ZLKMTZVMCDCNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-16(4-2)8-10-19(11-9-16)15(20)12-6-5-7-13(18)14(12)17/h5-7H,3-4,8-11,18H2,1-2H3.
What are the key properties of (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 294.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).