2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol

C16H32N2O2 — CID 107226563

IUPAC2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CC2(CO)CCCCCC2)CC1
InChIInChI=1S/C16H32N2O2/c19-13-12-17-8-5-9-18(11-10-17)14-16(15-20)6-3-1-2-4-7-16/h19-20H,1-15H2
InChIKeyAVBIRPWAAKDRCX-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol

2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107226563) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID107226563
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CC2(CO)CCCCCC2)CC1
InChIInChI=1S/C16H32N2O2/c19-13-12-17-8-5-9-18(11-10-17)14-16(15-20)6-3-1-2-4-7-16/h19-20H,1-15H2
InChIKeyAVBIRPWAAKDRCX-UHFFFAOYSA-N
XLogP1.32
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol with MolForge

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Related Compounds

[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62262765
[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
CID 62266890
[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 62264791
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
CID 104550772
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 63005066
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol (CID 107226563) is 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CC2(CO)CCCCCC2)CC1.
What is the InChIKey of 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is AVBIRPWAAKDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c19-13-12-17-8-5-9-18(11-10-17)14-16(15-20)6-3-1-2-4-7-16/h19-20H,1-15H2.
What are the key properties of 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 284.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).