[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

C14H27N3O — CID 61049242

IUPAC[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(N1CCCNCC1)C2
InChIInChI=1S/C14H27N3O/c1-16-12-3-4-13(16)10-14(9-12,11-18)17-7-2-5-15-6-8-17/h12-13,15,18H,2-11H2,1H3
InChIKeyKNXUWCBJEUZQSE-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.27
Rot. Bonds2

About [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 61049242) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID61049242
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(N1CCCNCC1)C2
InChIInChI=1S/C14H27N3O/c1-16-12-3-4-13(16)10-14(9-12,11-18)17-7-2-5-15-6-8-17/h12-13,15,18H,2-11H2,1H3
InChIKeyKNXUWCBJEUZQSE-UHFFFAOYSA-N
XLogP0.27
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol with MolForge

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Related Compounds

[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
CID 106823992
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
CID 64513850
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54886881
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
CID 63333605
[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
[1-(1,4-diazepan-1-yl)-2,2-dimethylcyclopentyl]methanol
CID 79863495
[(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
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
CID 70298410
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 61056846
(4-piperazin-1-ylthian-4-yl)methanol
CID 61337983

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 61049242) is [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is CN1C2CCC1CC(CO)(N1CCCNCC1)C2.
What is the InChIKey of [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is KNXUWCBJEUZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-12-3-4-13(16)10-14(9-12,11-18)17-7-2-5-15-6-8-17/h12-13,15,18H,2-11H2,1H3.
What are the key properties of [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 253.39 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 61049242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).