4-phenyl-1-(2-piperidin-4-ylethyl)piperidine

C18H28N2 — CID 68767972

IUPAC4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
SMILESc1ccc(C2CCN(CCC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-4-17(5-3-1)18-9-14-20(15-10-18)13-8-16-6-11-19-12-7-16/h1-5,16,18-19H,6-15H2
InChIKeyBCJVRTHCZDIHOR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.26
Rot. Bonds4

About 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine

4-phenyl-1-(2-piperidin-4-ylethyl)piperidine (PubChem CID 68767972) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
PubChem CID68767972
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
SMILESc1ccc(C2CCN(CCC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-4-17(5-3-1)18-9-14-20(15-10-18)13-8-16-6-11-19-12-7-16/h1-5,16,18-19H,6-15H2
InChIKeyBCJVRTHCZDIHOR-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine?
The IUPAC name of 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine (CID 68767972) is 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine?
The canonical SMILES for 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine is c1ccc(C2CCN(CCC3CCNCC3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine?
The InChIKey is BCJVRTHCZDIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-4-17(5-3-1)18-9-14-20(15-10-18)13-8-16-6-11-19-12-7-16/h1-5,16,18-19H,6-15H2.
What are the key properties of 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine?
4-phenyl-1-(2-piperidin-4-ylethyl)piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-piperidin-4-ylethyl)piperidine is sourced from PubChem (CID 68767972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).