N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C17H27BrN2O — CID 79704955

IUPACN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(Br)cc1)CC1CCNCC1
InChIInChI=1S/C17H27BrN2O/c1-2-11-20(14-15-7-9-19-10-8-15)12-13-21-17-5-3-16(18)4-6-17/h3-6,15,19H,2,7-14H2,1H3
InChIKeyCZDLBXLMOJEVMO-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79704955) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79704955
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(Br)cc1)CC1CCNCC1
InChIInChI=1S/C17H27BrN2O/c1-2-11-20(14-15-7-9-19-10-8-15)12-13-21-17-5-3-16(18)4-6-17/h3-6,15,19H,2,7-14H2,1H3
InChIKeyCZDLBXLMOJEVMO-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
4-bromo-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]phenol
CID 107739182
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79704955) is N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(CCOc1ccc(Br)cc1)CC1CCNCC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is CZDLBXLMOJEVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-11-20(14-15-7-9-19-10-8-15)12-13-21-17-5-3-16(18)4-6-17/h3-6,15,19H,2,7-14H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79704955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).