3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine

C16H24N2 — CID 53395324

IUPAC3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESc1ccc(C2CCCNC2CN2CCCC2)cc1
InChIInChI=1S/C16H24N2/c1-2-7-14(8-3-1)15-9-6-10-17-16(15)13-18-11-4-5-12-18/h1-3,7-8,15-17H,4-6,9-13H2
InChIKeyGRHCSNBNLAGXFU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.62
Rot. Bonds3

About 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine

3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 53395324) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID53395324
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESc1ccc(C2CCCNC2CN2CCCC2)cc1
InChIInChI=1S/C16H24N2/c1-2-7-14(8-3-1)15-9-6-10-17-16(15)13-18-11-4-5-12-18/h1-3,7-8,15-17H,4-6,9-13H2
InChIKeyGRHCSNBNLAGXFU-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine (CID 53395324) is 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine is c1ccc(C2CCCNC2CN2CCCC2)cc1.
What is the InChIKey of 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is GRHCSNBNLAGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-7-14(8-3-1)15-9-6-10-17-16(15)13-18-11-4-5-12-18/h1-3,7-8,15-17H,4-6,9-13H2.
What are the key properties of 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine?
3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 53395324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).