N-(2H-pyrrol-5-yl)piperidin-4-amine

C9H15N3 — CID 175177090

IUPACN-(2H-pyrrol-5-yl)piperidin-4-amine
SMILESC1=CC(NC2CCNCC2)=NC1
InChIInChI=1S/C9H15N3/c1-2-9(11-5-1)12-8-3-6-10-7-4-8/h1-2,8,10H,3-7H2,(H,11,12)
InChIKeyRUQNDHUINZSNDT-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.30
Rot. Bonds1

About N-(2H-pyrrol-5-yl)piperidin-4-amine

N-(2H-pyrrol-5-yl)piperidin-4-amine (PubChem CID 175177090) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2H-pyrrol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2H-pyrrol-5-yl)piperidin-4-amine
PubChem CID175177090
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(2H-pyrrol-5-yl)piperidin-4-amine
SMILESC1=CC(NC2CCNCC2)=NC1
InChIInChI=1S/C9H15N3/c1-2-9(11-5-1)12-8-3-6-10-7-4-8/h1-2,8,10H,3-7H2,(H,11,12)
InChIKeyRUQNDHUINZSNDT-UHFFFAOYSA-N
XLogP0.30
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrrol-5-yl)piperidin-4-amine?
The IUPAC name of N-(2H-pyrrol-5-yl)piperidin-4-amine (CID 175177090) is N-(2H-pyrrol-5-yl)piperidin-4-amine.
What is the SMILES notation for N-(2H-pyrrol-5-yl)piperidin-4-amine?
The canonical SMILES for N-(2H-pyrrol-5-yl)piperidin-4-amine is C1=CC(NC2CCNCC2)=NC1.
What is the InChIKey of N-(2H-pyrrol-5-yl)piperidin-4-amine?
The InChIKey is RUQNDHUINZSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-9(11-5-1)12-8-3-6-10-7-4-8/h1-2,8,10H,3-7H2,(H,11,12).
What are the key properties of N-(2H-pyrrol-5-yl)piperidin-4-amine?
N-(2H-pyrrol-5-yl)piperidin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrrol-5-yl)piperidin-4-amine is sourced from PubChem (CID 175177090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).