N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine

C16H24Cl2N2 — CID 63636723

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-3-9-20(14-5-4-8-19-11-14)12(2)15-10-13(17)6-7-16(15)18/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3
InChIKeyWAOLZXMICYCURM-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine

N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine (PubChem CID 63636723) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
PubChem CID63636723
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-3-9-20(14-5-4-8-19-11-14)12(2)15-10-13(17)6-7-16(15)18/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3
InChIKeyWAOLZXMICYCURM-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine (CID 63636723) is N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine?
The InChIKey is WAOLZXMICYCURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-3-9-20(14-5-4-8-19-11-14)12(2)15-10-13(17)6-7-16(15)18/h6-7,10,12,14,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).