N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine

C14H21BrN2O — CID 115118441

IUPACN-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCNC2CCNCC2)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-18-14-3-2-11(10-13(14)15)4-9-17-12-5-7-16-8-6-12/h2-3,10,12,16-17H,4-9H2,1H3
InChIKeyILAVKSDHZNDKFD-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine

N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine (PubChem CID 115118441) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
PubChem CID115118441
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCNC2CCNCC2)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-18-14-3-2-11(10-13(14)15)4-9-17-12-5-7-16-8-6-12/h2-3,10,12,16-17H,4-9H2,1H3
InChIKeyILAVKSDHZNDKFD-UHFFFAOYSA-N
XLogP2.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
CID 115146036
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine (CID 115118441) is N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine is COc1ccc(CCNC2CCNCC2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine?
The InChIKey is ILAVKSDHZNDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-18-14-3-2-11(10-13(14)15)4-9-17-12-5-7-16-8-6-12/h2-3,10,12,16-17H,4-9H2,1H3.
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine?
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115118441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).