[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine

C15H21BrN2 — CID 82308791

IUPAC[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C15H21BrN2/c16-13-3-1-12(2-4-13)15(11-17)7-9-18(10-8-15)14-5-6-14/h1-4,14H,5-11,17H2
InChIKeyKOMYQSJDFRSRPP-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.90
Rot. Bonds3

About [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine

[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine (PubChem CID 82308791) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine
PubChem CID82308791
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C15H21BrN2/c16-13-3-1-12(2-4-13)15(11-17)7-9-18(10-8-15)14-5-6-14/h1-4,14H,5-11,17H2
InChIKeyKOMYQSJDFRSRPP-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine (CID 82308791) is [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine is NCC1(c2ccc(Br)cc2)CCN(C2CC2)CC1.
What is the InChIKey of [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine?
The InChIKey is KOMYQSJDFRSRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-13-3-1-12(2-4-13)15(11-17)7-9-18(10-8-15)14-5-6-14/h1-4,14H,5-11,17H2.
What are the key properties of [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine?
[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine has a molecular weight of 309.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine is sourced from PubChem (CID 82308791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).