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

C16H25N3O2 — CID 156719607

IUPAC1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine
SMILESCOC1CC(OCCc2ccc(N3CCNCC3)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-20-14-10-15(11-14)21-9-4-13-2-3-16(18-12-13)19-7-5-17-6-8-19/h2-3,12,14-15,17H,4-11H2,1H3
InChIKeyNDBQGETYVBFWOS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.23
Rot. Bonds6

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

1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine (PubChem CID 156719607) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine
PubChem CID156719607
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine
SMILESCOC1CC(OCCc2ccc(N3CCNCC3)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-20-14-10-15(11-14)21-9-4-13-2-3-16(18-12-13)19-7-5-17-6-8-19/h2-3,12,14-15,17H,4-11H2,1H3
InChIKeyNDBQGETYVBFWOS-UHFFFAOYSA-N
XLogP1.23
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[3-(3-methoxycyclobutyl)oxypropyl]-2-pyridinyl]piperazine
CID 156719796
1-(5-propyl-2-pyridinyl)piperazine
CID 152988088
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
CID 139530958
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
dimethyl-(6-piperazin-1-yl-3-pyridinyl)phosphane
CID 143709729
1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
ethane;molecular hydrogen;4-[(6-piperazin-1-yl-3-pyridinyl)oxy]butan-1-amine;hydroiodide
CID 142368224
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine (CID 156719607) is 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine is COC1CC(OCCc2ccc(N3CCNCC3)nc2)C1.
What is the InChIKey of 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine?
The InChIKey is NDBQGETYVBFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-14-10-15(11-14)21-9-4-13-2-3-16(18-12-13)19-7-5-17-6-8-19/h2-3,12,14-15,17H,4-11H2,1H3.
What are the key properties of 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine?
1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine has a molecular weight of 291.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-methoxycyclobutyl)oxyethyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 156719607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).