1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine

C12H18N2 — CID 130217430

IUPAC1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
SMILESC=C(C)N1CCC(C2=CC=NC2)CC1
InChIInChI=1S/C12H18N2/c1-10(2)14-7-4-11(5-8-14)12-3-6-13-9-12/h3,6,11H,1,4-5,7-9H2,2H3
InChIKeyXRSGMPQRJCWWNS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds2

About 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine

1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine (PubChem CID 130217430) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
PubChem CID130217430
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
SMILESC=C(C)N1CCC(C2=CC=NC2)CC1
InChIInChI=1S/C12H18N2/c1-10(2)14-7-4-11(5-8-14)12-3-6-13-9-12/h3,6,11H,1,4-5,7-9H2,2H3
InChIKeyXRSGMPQRJCWWNS-UHFFFAOYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine?
The IUPAC name of 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine (CID 130217430) is 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine.
What is the SMILES notation for 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine?
The canonical SMILES for 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine is C=C(C)N1CCC(C2=CC=NC2)CC1.
What is the InChIKey of 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine?
The InChIKey is XRSGMPQRJCWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)14-7-4-11(5-8-14)12-3-6-13-9-12/h3,6,11H,1,4-5,7-9H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine?
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine is sourced from PubChem (CID 130217430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).