[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol

C15H22N2O — CID 61048443

IUPAC[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
SMILESOCC1(N2CCCNCC2)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c18-12-15(17-8-3-6-16-7-9-17)10-13-4-1-2-5-14(13)11-15/h1-2,4-5,16,18H,3,6-12H2
InChIKeyZRCPOPUCRYVSOH-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.81
Rot. Bonds2

About [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol

[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol (PubChem CID 61048443) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol.

Molecular Properties

Compound Name[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
PubChem CID61048443
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
SMILESOCC1(N2CCCNCC2)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c18-12-15(17-8-3-6-16-7-9-17)10-13-4-1-2-5-14(13)11-15/h1-2,4-5,16,18H,3,6-12H2
InChIKeyZRCPOPUCRYVSOH-UHFFFAOYSA-N
XLogP0.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
CID 60993812
2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
CID 63333605
[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
CID 106823992
[3-(1,4-diazepan-1-yl)-1,1-dioxothiolan-3-yl]methanol
CID 63166481
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61049242
[(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-[(2-methyl-1,3-dihydroinden-2-yl)methyl]piperazine
CID 22152315
1-(3,5-dichlorophenyl)-N-methyl-N-[(2-piperazin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine
CID 23147724
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
CID 64513850

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol?
The IUPAC name of [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol (CID 61048443) is [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol.
What is the SMILES notation for [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol?
The canonical SMILES for [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol is OCC1(N2CCCNCC2)Cc2ccccc2C1.
What is the InChIKey of [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol?
The InChIKey is ZRCPOPUCRYVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-12-15(17-8-3-6-16-7-9-17)10-13-4-1-2-5-14(13)11-15/h1-2,4-5,16,18H,3,6-12H2.
What are the key properties of [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol?
[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol is sourced from PubChem (CID 61048443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).