1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine

C14H22BrN3 — CID 117027561

IUPAC1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(NC2CCN(CCN)CC2)ccc1Br
InChIInChI=1S/C14H22BrN3/c1-11-10-13(2-3-14(11)15)17-12-4-7-18(8-5-12)9-6-16/h2-3,10,12,17H,4-9,16H2,1H3
InChIKeyHIZILTHDFAJRBL-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.59
Rot. Bonds4

About 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine

1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine (PubChem CID 117027561) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
PubChem CID117027561
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
SMILESCc1cc(NC2CCN(CCN)CC2)ccc1Br
InChIInChI=1S/C14H22BrN3/c1-11-10-13(2-3-14(11)15)17-12-4-7-18(8-5-12)9-6-16/h2-3,10,12,17H,4-9,16H2,1H3
InChIKeyHIZILTHDFAJRBL-UHFFFAOYSA-N
XLogP2.59
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43680385
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine (CID 117027561) is 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine is Cc1cc(NC2CCN(CCN)CC2)ccc1Br.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
The InChIKey is HIZILTHDFAJRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-10-13(2-3-14(11)15)17-12-4-7-18(8-5-12)9-6-16/h2-3,10,12,17H,4-9,16H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine?
1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine has a molecular weight of 312.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 117027561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).