2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline

C16H25N3 — CID 106636550

IUPAC2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(N2CCCCC2)c(NCC2CCCN2)c1
InChIInChI=1S/C16H25N3/c1-4-11-19(12-5-1)16-9-3-2-8-15(16)18-13-14-7-6-10-17-14/h2-3,8-9,14,17-18H,1,4-7,10-13H2
InChIKeyMOHVUEACHQYYSP-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.84
Rot. Bonds4

About 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline

2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106636550) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106636550
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESc1ccc(N2CCCCC2)c(NCC2CCCN2)c1
InChIInChI=1S/C16H25N3/c1-4-11-19(12-5-1)16-9-3-2-8-15(16)18-13-14-7-6-10-17-14/h2-3,8-9,14,17-18H,1,4-7,10-13H2
InChIKeyMOHVUEACHQYYSP-UHFFFAOYSA-N
XLogP2.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline (CID 106636550) is 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline is c1ccc(N2CCCCC2)c(NCC2CCCN2)c1.
What is the InChIKey of 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is MOHVUEACHQYYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-11-19(12-5-1)16-9-3-2-8-15(16)18-13-14-7-6-10-17-14/h2-3,8-9,14,17-18H,1,4-7,10-13H2.
What are the key properties of 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline?
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 259.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106636550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).