1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine

C19H31N3O2 — CID 124872483

IUPAC1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
SMILESC[C@@H](c1ccccn1)N1CCN(CCCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H31N3O2/c1-17(18-7-2-4-9-20-18)22-13-11-21(12-14-22)10-6-16-24-19-8-3-5-15-23-19/h2,4,7,9,17,19H,3,5-6,8,10-16H2,1H3/t17-,19+/m0/s1
InChIKeyUZCQCFUJKQZDJS-PKOBYXMFSA-N
MW333.48 g/mol
LogP2.69
Rot. Bonds7

About 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine

1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine (PubChem CID 124872483) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
PubChem CID124872483
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
SMILESC[C@@H](c1ccccn1)N1CCN(CCCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H31N3O2/c1-17(18-7-2-4-9-20-18)22-13-11-21(12-14-22)10-6-16-24-19-8-3-5-15-23-19/h2,4,7,9,17,19H,3,5-6,8,10-16H2,1H3/t17-,19+/m0/s1
InChIKeyUZCQCFUJKQZDJS-PKOBYXMFSA-N
XLogP2.69
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine (CID 124872483) is 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine is C[C@@H](c1ccccn1)N1CCN(CCCO[C@@H]2CCCCO2)CC1.
What is the InChIKey of 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine?
The InChIKey is UZCQCFUJKQZDJS-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-17(18-7-2-4-9-20-18)22-13-11-21(12-14-22)10-6-16-24-19-8-3-5-15-23-19/h2,4,7,9,17,19H,3,5-6,8,10-16H2,1H3/t17-,19+/m0/s1.
What are the key properties of 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine?
1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine has a molecular weight of 333.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 124872483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).