[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol

C11H22N2O2 — CID 106823992

IUPAC[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(N2CCCNCC2)C1
InChIInChI=1S/C11H22N2O2/c1-15-10-7-11(8-10,9-14)13-5-2-3-12-4-6-13/h10,12,14H,2-9H2,1H3
InChIKeyTVHNVBQVUFUJOH-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.18
Rot. Bonds3

About [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol

[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol (PubChem CID 106823992) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol.

Molecular Properties

Compound Name[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
PubChem CID106823992
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(N2CCCNCC2)C1
InChIInChI=1S/C11H22N2O2/c1-15-10-7-11(8-10,9-14)13-5-2-3-12-4-6-13/h10,12,14H,2-9H2,1H3
InChIKeyTVHNVBQVUFUJOH-UHFFFAOYSA-N
XLogP-0.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61049242
1-(1,4-diazepan-1-yl)-3-methoxycyclobutane-1-carboxylic acid
CID 106822616
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
CID 64513850
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
CID 63333605
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
[3-(1,4-diazepan-1-yl)-1,1-dioxothiolan-3-yl]methanol
CID 63166481
[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
CID 61048443
[(8aR)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-yl]methanol
CID 129365913
2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
CID 45122045
[1-(1,4-diazepan-1-yl)-2,2-dimethylcyclopentyl]methanol
CID 79863495
(4-piperazin-1-ylthian-4-yl)methanol
CID 61337983
(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol
CID 63165904

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol?
The IUPAC name of [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol (CID 106823992) is [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol.
What is the SMILES notation for [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol?
The canonical SMILES for [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol is COC1CC(CO)(N2CCCNCC2)C1.
What is the InChIKey of [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol?
The InChIKey is TVHNVBQVUFUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-10-7-11(8-10,9-14)13-5-2-3-12-4-6-13/h10,12,14H,2-9H2,1H3.
What are the key properties of [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol?
[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol has a molecular weight of 214.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol is sourced from PubChem (CID 106823992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).