N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine

C18H27BrN2 — CID 43634693

IUPACN-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C18H27BrN2/c1-2-8-21-9-6-17(7-10-21)20-18-12-15(13-18)14-4-3-5-16(19)11-14/h3-5,11,15,17-18,20H,2,6-10,12-13H2,1H3
InChIKeyJMXXXVMXDXPWKX-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.16
Rot. Bonds5

About N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine

N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine (PubChem CID 43634693) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
PubChem CID43634693
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C18H27BrN2/c1-2-8-21-9-6-17(7-10-21)20-18-12-15(13-18)14-4-3-5-16(19)11-14/h3-5,11,15,17-18,20H,2,6-10,12-13H2,1H3
InChIKeyJMXXXVMXDXPWKX-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine (CID 43634693) is N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC2CC(c3cccc(Br)c3)C2)CC1.
What is the InChIKey of N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine?
The InChIKey is JMXXXVMXDXPWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-2-8-21-9-6-17(7-10-21)20-18-12-15(13-18)14-4-3-5-16(19)11-14/h3-5,11,15,17-18,20H,2,6-10,12-13H2,1H3.
What are the key properties of N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine?
N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine has a molecular weight of 351.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43634693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).