1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine

C14H20Cl2N2 — CID 69131262

IUPAC1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1
InChIInChI=1S/C14H20Cl2N2/c1-17-10-14(5-7-18(2)8-6-14)11-3-4-12(15)13(16)9-11/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyPFQVREDEXKHNKU-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine

1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 69131262) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
PubChem CID69131262
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1
InChIInChI=1S/C14H20Cl2N2/c1-17-10-14(5-7-18(2)8-6-14)11-3-4-12(15)13(16)9-11/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyPFQVREDEXKHNKU-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine (CID 69131262) is 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine is CNCC1(c2ccc(Cl)c(Cl)c2)CCN(C)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is PFQVREDEXKHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17-10-14(5-7-18(2)8-6-14)11-3-4-12(15)13(16)9-11/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine?
1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 69131262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).