3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline

C13H19BrN2 — CID 107582312

IUPAC3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1cc(Br)cc(NCC2CCNCC2)c1
InChIInChI=1S/C13H19BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h6-8,11,15-16H,2-5,9H2,1H3
InChIKeyBLQSUDHYKNYQRR-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.17
Rot. Bonds3

About 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline

3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 107582312) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
PubChem CID107582312
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1cc(Br)cc(NCC2CCNCC2)c1
InChIInChI=1S/C13H19BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h6-8,11,15-16H,2-5,9H2,1H3
InChIKeyBLQSUDHYKNYQRR-UHFFFAOYSA-N
XLogP3.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
3-bromo-5-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 107583152
3-bromo-N-(cyclobutylmethyl)-5-fluoroaniline
CID 131072578
3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
3-bromo-5-(cyclohexylmethylamino)benzonitrile
CID 102815338
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
3-bromo-5-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 107583161
4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
CID 43560330
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline (CID 107582312) is 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline is Cc1cc(Br)cc(NCC2CCNCC2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is BLQSUDHYKNYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-6-12(14)8-13(7-10)16-9-11-2-4-15-5-3-11/h6-8,11,15-16H,2-5,9H2,1H3.
What are the key properties of 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline?
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 283.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 107582312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).