1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine

C19H23BrN2 — CID 23738592

IUPAC1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESBrc1ccccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23BrN2/c20-19-9-5-4-8-17(19)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,21H,10-15H2
InChIKeyMLPRJCJJJPRCCI-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.20
Rot. Bonds5

About 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine

1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine (PubChem CID 23738592) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
PubChem CID23738592
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC Name1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
SMILESBrc1ccccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23BrN2/c20-19-9-5-4-8-17(19)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,21H,10-15H2
InChIKeyMLPRJCJJJPRCCI-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 57217646
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine (CID 23738592) is 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine is Brc1ccccc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine?
The InChIKey is MLPRJCJJJPRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c20-19-9-5-4-8-17(19)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,21H,10-15H2.
What are the key properties of 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine?
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine has a molecular weight of 359.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 23738592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).