N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine

C17H26Cl2N2 — CID 54462268

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
SMILESCCN(CCCN1CCCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-2-20(11-6-12-21-9-4-3-5-10-21)14-15-7-8-16(18)17(19)13-15/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyZUASMBORGBGOGC-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.69
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 54462268) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
PubChem CID54462268
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
SMILESCCN(CCCN1CCCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-2-20(11-6-12-21-9-4-3-5-10-21)14-15-7-8-16(18)17(19)13-15/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyZUASMBORGBGOGC-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine (CID 54462268) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine is CCN(CCCN1CCCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is ZUASMBORGBGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-2-20(11-6-12-21-9-4-3-5-10-21)14-15-7-8-16(18)17(19)13-15/h7-8,13H,2-6,9-12,14H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54462268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).