4-(1H-pyrrol-3-ylmethyl)piperidine

C10H16N2 — CID 82280301

IUPAC4-(1H-pyrrol-3-ylmethyl)piperidine
SMILESc1cc(CC2CCNCC2)c[nH]1
InChIInChI=1S/C10H16N2/c1-4-11-5-2-9(1)7-10-3-6-12-8-10/h3,6,8-9,11-12H,1-2,4-5,7H2
InChIKeyRMGXJVFWHQJCOL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.56
Rot. Bonds2

About 4-(1H-pyrrol-3-ylmethyl)piperidine

4-(1H-pyrrol-3-ylmethyl)piperidine (PubChem CID 82280301) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(1H-pyrrol-3-ylmethyl)piperidine
PubChem CID82280301
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(1H-pyrrol-3-ylmethyl)piperidine
SMILESc1cc(CC2CCNCC2)c[nH]1
InChIInChI=1S/C10H16N2/c1-4-11-5-2-9(1)7-10-3-6-12-8-10/h3,6,8-9,11-12H,1-2,4-5,7H2
InChIKeyRMGXJVFWHQJCOL-UHFFFAOYSA-N
XLogP1.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-ylmethyl)piperidine?
The IUPAC name of 4-(1H-pyrrol-3-ylmethyl)piperidine (CID 82280301) is 4-(1H-pyrrol-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(1H-pyrrol-3-ylmethyl)piperidine?
The canonical SMILES for 4-(1H-pyrrol-3-ylmethyl)piperidine is c1cc(CC2CCNCC2)c[nH]1.
What is the InChIKey of 4-(1H-pyrrol-3-ylmethyl)piperidine?
The InChIKey is RMGXJVFWHQJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-11-5-2-9(1)7-10-3-6-12-8-10/h3,6,8-9,11-12H,1-2,4-5,7H2.
What are the key properties of 4-(1H-pyrrol-3-ylmethyl)piperidine?
4-(1H-pyrrol-3-ylmethyl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-ylmethyl)piperidine is sourced from PubChem (CID 82280301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).