4-(2,5-dihydropyrrol-1-yl)piperidine

C9H16N2 — CID 54595885

IUPAC4-(2,5-dihydropyrrol-1-yl)piperidine
SMILESC1=CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h1-2,9-10H,3-8H2
InChIKeyJVDTWAMFTGWSKS-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds1

About 4-(2,5-dihydropyrrol-1-yl)piperidine

4-(2,5-dihydropyrrol-1-yl)piperidine (PubChem CID 54595885) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)piperidine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)piperidine
PubChem CID54595885
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(2,5-dihydropyrrol-1-yl)piperidine
SMILESC1=CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h1-2,9-10H,3-8H2
InChIKeyJVDTWAMFTGWSKS-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-Prop-2-enylpiperidin-1-ium
CID 7018872
(2S)-2-(2,5-dihydropyrrol-1-ylmethyl)piperidine
CID 15020431
1-(Prop-2-en-1-yl)piperidin-4-amine
CID 18002016
1-(But-3-en-1-yl)piperidin-4-amine
CID 21135899
1-Allyl-3-aminopiperidine
CID 21482818
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]prop-2-en-1-amine
CID 22854132
1-Piperidin-4-yl-4-prop-2-enylpiperazine
CID 28283048
N-methyl-N-prop-2-enylpiperidin-4-amine
CID 43607260

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)piperidine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)piperidine (CID 54595885) is 4-(2,5-dihydropyrrol-1-yl)piperidine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)piperidine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)piperidine is C1=CCN(C2CCNCC2)C1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)piperidine?
The InChIKey is JVDTWAMFTGWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h1-2,9-10H,3-8H2.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)piperidine?
4-(2,5-dihydropyrrol-1-yl)piperidine has a molecular weight of 152.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)piperidine is sourced from PubChem (CID 54595885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).