N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

C20H25BrN2 — CID 6456385

IUPACN-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESBrc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25BrN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2
InChIKeyAGKSEXFEKDWOCB-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.25
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine

N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 6456385) has the molecular formula C20H25BrN2 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID6456385
Molecular FormulaC20H25BrN2
Molecular Weight373.34 g/mol
Exact Mass372.12
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESBrc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25BrN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2
InChIKeyAGKSEXFEKDWOCB-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine (CID 6456385) is N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is Brc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is AGKSEXFEKDWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 373.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 6456385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).