2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine

C20H33N3 — CID 131905433

IUPAC2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
SMILESNCCc1ccc(CNCC2(N3CCCCC3)CCCC2)cc1
InChIInChI=1S/C20H33N3/c21-13-10-18-6-8-19(9-7-18)16-22-17-20(11-2-3-12-20)23-14-4-1-5-15-23/h6-9,22H,1-5,10-17,21H2
InChIKeyUQGYOENEPPYNOR-UHFFFAOYSA-N
MW315.51 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine

2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine (PubChem CID 131905433) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
PubChem CID131905433
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
SMILESNCCc1ccc(CNCC2(N3CCCCC3)CCCC2)cc1
InChIInChI=1S/C20H33N3/c21-13-10-18-6-8-19(9-7-18)16-22-17-20(11-2-3-12-20)23-14-4-1-5-15-23/h6-9,22H,1-5,10-17,21H2
InChIKeyUQGYOENEPPYNOR-UHFFFAOYSA-N
XLogP3.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine (CID 131905433) is 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine is NCCc1ccc(CNCC2(N3CCCCC3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine?
The InChIKey is UQGYOENEPPYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c21-13-10-18-6-8-19(9-7-18)16-22-17-20(11-2-3-12-20)23-14-4-1-5-15-23/h6-9,22H,1-5,10-17,21H2.
What are the key properties of 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine?
2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine has a molecular weight of 315.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine is sourced from PubChem (CID 131905433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).