3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol

C16H23NO2 — CID 103061636

IUPAC3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1CN1CCc2ccccc2CC1
InChIInChI=1S/C16H23NO2/c18-16-7-10-19-12-15(16)11-17-8-5-13-3-1-2-4-14(13)6-9-17/h1-4,15-16,18H,5-12H2
InChIKeyQURGDVRSQMLLPG-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.48
Rot. Bonds2

About 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol

3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol (PubChem CID 103061636) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
PubChem CID103061636
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1CN1CCc2ccccc2CC1
InChIInChI=1S/C16H23NO2/c18-16-7-10-19-12-15(16)11-17-8-5-13-3-1-2-4-14(13)6-9-17/h1-4,15-16,18H,5-12H2
InChIKeyQURGDVRSQMLLPG-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-one
CID 103058042
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
CID 62608826
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-(1,3-dihydroisoindol-2-ylmethyl)-N-methyloxan-4-amine
CID 103059029
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol?
The IUPAC name of 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol (CID 103061636) is 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol.
What is the SMILES notation for 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol?
The canonical SMILES for 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol is OC1CCOCC1CN1CCc2ccccc2CC1.
What is the InChIKey of 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol?
The InChIKey is QURGDVRSQMLLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16-7-10-19-12-15(16)11-17-8-5-13-3-1-2-4-14(13)6-9-17/h1-4,15-16,18H,5-12H2.
What are the key properties of 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol?
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol is sourced from PubChem (CID 103061636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).