1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol

C19H30N2O — CID 70385276

IUPAC1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
SMILESOC(CN1CCCNCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30N2O/c22-19(17-8-3-1-4-9-17,18-10-5-2-6-11-18)16-21-14-7-12-20-13-15-21/h1,3-4,8-9,18,20,22H,2,5-7,10-16H2
InChIKeyZYLBRIRDHARLND-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol

1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol (PubChem CID 70385276) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
PubChem CID70385276
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
SMILESOC(CN1CCCNCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30N2O/c22-19(17-8-3-1-4-9-17,18-10-5-2-6-11-18)16-21-14-7-12-20-13-15-21/h1,3-4,8-9,18,20,22H,2,5-7,10-16H2
InChIKeyZYLBRIRDHARLND-UHFFFAOYSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol iodide
CID 169441280
1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol
CID 123770807
1-cyclopentyl-3-(1,4-diazepan-1-yl)-1-hydroxy-1-phenylpropan-2-one
CID 11623842
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
CID 88623213
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol?
The IUPAC name of 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol (CID 70385276) is 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol.
What is the SMILES notation for 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol?
The canonical SMILES for 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol is OC(CN1CCCNCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol?
The InChIKey is ZYLBRIRDHARLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c22-19(17-8-3-1-4-9-17,18-10-5-2-6-11-18)16-21-14-7-12-20-13-15-21/h1,3-4,8-9,18,20,22H,2,5-7,10-16H2.
What are the key properties of 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol?
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol has a molecular weight of 302.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol is sourced from PubChem (CID 70385276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).