(3R)-3-pyrrol-1-ylpiperidine

C9H14N2 — CID 95378994

IUPAC(3R)-3-pyrrol-1-ylpiperidine
SMILESc1ccn([C@@H]2CCCNC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m1/s1
InChIKeyMSVVJUQLGSKKPB-SECBINFHSA-N
MW150.23 g/mol
LogP1.41
Rot. Bonds1

About (3R)-3-pyrrol-1-ylpiperidine

(3R)-3-pyrrol-1-ylpiperidine (PubChem CID 95378994) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is (3R)-3-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name(3R)-3-pyrrol-1-ylpiperidine
PubChem CID95378994
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name(3R)-3-pyrrol-1-ylpiperidine
SMILESc1ccn([C@@H]2CCCNC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m1/s1
InChIKeyMSVVJUQLGSKKPB-SECBINFHSA-N
XLogP1.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyrrol-1-ylpiperidine?
The IUPAC name of (3R)-3-pyrrol-1-ylpiperidine (CID 95378994) is (3R)-3-pyrrol-1-ylpiperidine.
What is the SMILES notation for (3R)-3-pyrrol-1-ylpiperidine?
The canonical SMILES for (3R)-3-pyrrol-1-ylpiperidine is c1ccn([C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-pyrrol-1-ylpiperidine?
The InChIKey is MSVVJUQLGSKKPB-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m1/s1.
What are the key properties of (3R)-3-pyrrol-1-ylpiperidine?
(3R)-3-pyrrol-1-ylpiperidine has a molecular weight of 150.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyrrol-1-ylpiperidine is sourced from PubChem (CID 95378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).