1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine

C19H37N3O2 — CID 28954494

IUPAC1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(CCOC[C@@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)14-16-23-17-19-5-3-4-15-24-19/h18-19H,2-17H2,1H3/t19-/m0/s1
InChIKeyYTWKAFSOAOYWPN-IBGZPJMESA-N
MW339.52 g/mol
LogP1.67
Rot. Bonds7

About 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine

1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine (PubChem CID 28954494) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine
PubChem CID28954494
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(CCOC[C@@H]3CCCCO3)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)14-16-23-17-19-5-3-4-15-24-19/h18-19H,2-17H2,1H3/t19-/m0/s1
InChIKeyYTWKAFSOAOYWPN-IBGZPJMESA-N
XLogP1.67
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.67
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-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine (CID 28954494) is 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine is CCN1CCN(C2CCN(CCOC[C@@H]3CCCCO3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine?
The InChIKey is YTWKAFSOAOYWPN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H37N3O2/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)14-16-23-17-19-5-3-4-15-24-19/h18-19H,2-17H2,1H3/t19-/m0/s1.
What are the key properties of 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine?
1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine has a molecular weight of 339.52 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]piperidin-4-yl]piperazine is sourced from PubChem (CID 28954494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).