N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine

C17H21ClN2O — CID 17196001

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESClc1ccccc1-c1ccc(CNCC2CCNCC2)o1
InChIInChI=1S/C17H21ClN2O/c18-16-4-2-1-3-15(16)17-6-5-14(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2
InChIKeyHXDMFBORDZSTBN-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.69
Rot. Bonds5

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 17196001) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID17196001
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESClc1ccccc1-c1ccc(CNCC2CCNCC2)o1
InChIInChI=1S/C17H21ClN2O/c18-16-4-2-1-3-15(16)17-6-5-14(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2
InChIKeyHXDMFBORDZSTBN-UHFFFAOYSA-N
XLogP3.69
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 17196001) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine is Clc1ccccc1-c1ccc(CNCC2CCNCC2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is HXDMFBORDZSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-16-4-2-1-3-15(16)17-6-5-14(21-17)12-20-11-13-7-9-19-10-8-13/h1-6,13,19-20H,7-12H2.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 17196001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).