1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine

C16H18ClNO — CID 782099

IUPAC1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine
SMILESClc1ccc(-c2ccc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C16H18ClNO/c17-14-6-4-13(5-7-14)16-9-8-15(19-16)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeySRVGRXIHBRWFOL-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.59
Rot. Bonds3

About 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine

1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine (PubChem CID 782099) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine
PubChem CID782099
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine
SMILESClc1ccc(-c2ccc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C16H18ClNO/c17-14-6-4-13(5-7-14)16-9-8-15(19-16)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeySRVGRXIHBRWFOL-UHFFFAOYSA-N
XLogP4.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine?
The IUPAC name of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine (CID 782099) is 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine is Clc1ccc(-c2ccc(CN3CCCCC3)o2)cc1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine?
The InChIKey is SRVGRXIHBRWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-14-6-4-13(5-7-14)16-9-8-15(19-16)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2.
What are the key properties of 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine?
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine has a molecular weight of 275.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidine is sourced from PubChem (CID 782099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).