4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine

C12H22N2O — CID 65418148

IUPAC4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
SMILESC1=CCN(CCCOC2CCNCC2)C1
InChIInChI=1S/C12H22N2O/c1-2-9-14(8-1)10-3-11-15-12-4-6-13-7-5-12/h1-2,12-13H,3-11H2
InChIKeyNQKVFLXHUUISPM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds5

About 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine

4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine (PubChem CID 65418148) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine.

Molecular Properties

Compound Name4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
PubChem CID65418148
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
SMILESC1=CCN(CCCOC2CCNCC2)C1
InChIInChI=1S/C12H22N2O/c1-2-9-14(8-1)10-3-11-15-12-4-6-13-7-5-12/h1-2,12-13H,3-11H2
InChIKeyNQKVFLXHUUISPM-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
CID 79678748
4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
CID 63871035
2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane
CID 79677564
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
7,7-dimethyl-4-(3-piperidin-4-yloxypropyl)-1,4-thiazepane
CID 107456139
3-methoxy-1-(3-piperidin-4-yloxypropyl)piperidine
CID 102963853
N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
CID 81464896
4-pentoxypiperidine
CID 43167830
4-(3-piperidin-4-yloxypropyl)-1H-1,2,4-triazol-5-one
CID 107410869
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
CID 146420488
2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 114593846

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine?
The IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine (CID 65418148) is 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine.
What is the SMILES notation for 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine?
The canonical SMILES for 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine is C1=CCN(CCCOC2CCNCC2)C1.
What is the InChIKey of 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine?
The InChIKey is NQKVFLXHUUISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-9-14(8-1)10-3-11-15-12-4-6-13-7-5-12/h1-2,12-13H,3-11H2.
What are the key properties of 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine?
4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine is sourced from PubChem (CID 65418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).