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

C14H22N2O2 — CID 82244905

IUPAC[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CNCCCN1CCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c17-12-13-11-15-7-4-8-16(13)9-10-18-14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2
InChIKeyTVFITGDYMQKHAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.72
Rot. Bonds5

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

[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol (PubChem CID 82244905) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol
PubChem CID82244905
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CNCCCN1CCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c17-12-13-11-15-7-4-8-16(13)9-10-18-14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2
InChIKeyTVFITGDYMQKHAR-UHFFFAOYSA-N
XLogP0.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
2-benzyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 82248534
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
[(2R)-1-(2-pyridin-2-yloxyethyl)pyrrolidin-2-yl]methanol
CID 136585328
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
CID 61407004

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol?
The IUPAC name of [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol (CID 82244905) is [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol.
What is the SMILES notation for [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol?
The canonical SMILES for [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol is OCC1CNCCCN1CCOc1ccccc1.
What is the InChIKey of [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol?
The InChIKey is TVFITGDYMQKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-13-11-15-7-4-8-16(13)9-10-18-14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2.
What are the key properties of [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol?
[1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethyl)-1,4-diazepan-2-yl]methanol is sourced from PubChem (CID 82244905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).