(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone

C14H19ClN2O — CID 115269961

IUPAC(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3
InChIKeyVKJVZKMQUJYOIM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.54
Rot. Bonds1

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

(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 115269961) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
PubChem CID115269961
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N
InChIInChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3
InChIKeyVKJVZKMQUJYOIM-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone (CID 115269961) is (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone is CC1(C)CCN(C(=O)c2cccc(Cl)c2)CC1N.
What is the InChIKey of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is VKJVZKMQUJYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)6-7-17(9-12(14)16)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9,16H2,1-2H3.
What are the key properties of (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone?
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 115269961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).