1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

C14H21BrN2O — CID 113283386

IUPAC1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESBrc1ccc(CN2CCC(NCC3CC3)CC2)o1
InChIInChI=1S/C14H21BrN2O/c15-14-4-3-13(18-14)10-17-7-5-12(6-8-17)16-9-11-1-2-11/h3-4,11-12,16H,1-2,5-10H2
InChIKeyDJDXEJUFFBDRFC-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds5

About 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 113283386) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID113283386
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESBrc1ccc(CN2CCC(NCC3CC3)CC2)o1
InChIInChI=1S/C14H21BrN2O/c15-14-4-3-13(18-14)10-17-7-5-12(6-8-17)16-9-11-1-2-11/h3-4,11-12,16H,1-2,5-10H2
InChIKeyDJDXEJUFFBDRFC-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (CID 113283386) is 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is Brc1ccc(CN2CCC(NCC3CC3)CC2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is DJDXEJUFFBDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-14-4-3-13(18-14)10-17-7-5-12(6-8-17)16-9-11-1-2-11/h3-4,11-12,16H,1-2,5-10H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 113283386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).