1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine

C17H27N3O2 — CID 156719796

IUPAC1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine
SMILESCOC1CC(OCCCc2ccc(N3CCNCC3)nc2)C1
InChIInChI=1S/C17H27N3O2/c1-21-15-11-16(12-15)22-10-2-3-14-4-5-17(19-13-14)20-8-6-18-7-9-20/h4-5,13,15-16,18H,2-3,6-12H2,1H3
InChIKeyHSZYDXVHMYVNRW-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.62
Rot. Bonds7

About 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine

1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine (PubChem CID 156719796) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine
PubChem CID156719796
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine
SMILESCOC1CC(OCCCc2ccc(N3CCNCC3)nc2)C1
InChIInChI=1S/C17H27N3O2/c1-21-15-11-16(12-15)22-10-2-3-14-4-5-17(19-13-14)20-8-6-18-7-9-20/h4-5,13,15-16,18H,2-3,6-12H2,1H3
InChIKeyHSZYDXVHMYVNRW-UHFFFAOYSA-N
XLogP1.62
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine (CID 156719796) is 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine is COC1CC(OCCCc2ccc(N3CCNCC3)nc2)C1.
What is the InChIKey of 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine?
The InChIKey is HSZYDXVHMYVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-21-15-11-16(12-15)22-10-2-3-14-4-5-17(19-13-14)20-8-6-18-7-9-20/h4-5,13,15-16,18H,2-3,6-12H2,1H3.
What are the key properties of 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine?
1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine has a molecular weight of 305.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 156719796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).