1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine

C17H34N2O2 — CID 166788265

IUPAC1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine
SMILESCCC(C)OCCN1CCC(OC2CN(C(C)C)C2)CC1
InChIInChI=1S/C17H34N2O2/c1-5-15(4)20-11-10-18-8-6-16(7-9-18)21-17-12-19(13-17)14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyFSBOTZINFUQQBU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.38
Rot. Bonds8

About 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine

1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine (PubChem CID 166788265) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine
PubChem CID166788265
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine
SMILESCCC(C)OCCN1CCC(OC2CN(C(C)C)C2)CC1
InChIInChI=1S/C17H34N2O2/c1-5-15(4)20-11-10-18-8-6-16(7-9-18)21-17-12-19(13-17)14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyFSBOTZINFUQQBU-UHFFFAOYSA-N
XLogP2.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine?
The IUPAC name of 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine (CID 166788265) is 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine.
What is the SMILES notation for 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine?
The canonical SMILES for 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine is CCC(C)OCCN1CCC(OC2CN(C(C)C)C2)CC1.
What is the InChIKey of 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine?
The InChIKey is FSBOTZINFUQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-15(4)20-11-10-18-8-6-16(7-9-18)21-17-12-19(13-17)14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine?
1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine has a molecular weight of 298.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine is sourced from PubChem (CID 166788265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).