1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine

C14H20Cl2N2 — CID 79879111

IUPAC1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C14H20Cl2N2/c1-9-8-18(6-5-14(9)17)10(2)11-3-4-12(15)13(16)7-11/h3-4,7,9-10,14H,5-6,8,17H2,1-2H3
InChIKeyDNBRYDOZTCQWML-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.72
Rot. Bonds2

About 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine

1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine (PubChem CID 79879111) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
PubChem CID79879111
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C14H20Cl2N2/c1-9-8-18(6-5-14(9)17)10(2)11-3-4-12(15)13(16)7-11/h3-4,7,9-10,14H,5-6,8,17H2,1-2H3
InChIKeyDNBRYDOZTCQWML-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine (CID 79879111) is 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine is CC1CN(C(C)c2ccc(Cl)c(Cl)c2)CCC1N.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine?
The InChIKey is DNBRYDOZTCQWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-9-8-18(6-5-14(9)17)10(2)11-3-4-12(15)13(16)7-11/h3-4,7,9-10,14H,5-6,8,17H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine?
1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine has a molecular weight of 287.23 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).