N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C17H26Cl2N2 — CID 79697530

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-3-10-21(12-14-6-8-20-9-7-14)13(2)15-4-5-16(18)17(19)11-15/h4-5,11,13-14,20H,3,6-10,12H2,1-2H3
InChIKeyFIKKMFBTMXWVJG-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.77
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79697530) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79697530
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-3-10-21(12-14-6-8-20-9-7-14)13(2)15-4-5-16(18)17(19)11-15/h4-5,11,13-14,20H,3,6-10,12H2,1-2H3
InChIKeyFIKKMFBTMXWVJG-UHFFFAOYSA-N
XLogP4.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 79696967
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715260
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79715760
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625264
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N-[1-(3,4-dichlorophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119686006
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79697530) is N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(CC1CCNCC1)C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is FIKKMFBTMXWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-3-10-21(12-14-6-8-20-9-7-14)13(2)15-4-5-16(18)17(19)11-15/h4-5,11,13-14,20H,3,6-10,12H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79697530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).