1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol

C20H32N2O3 — CID 110882272

IUPAC1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(C2CCCCCN2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-24-19-8-6-17(7-9-19)20-5-3-2-4-10-22(20)16-18(23)15-21-11-13-25-14-12-21/h6-9,18,20,23H,2-5,10-16H2,1H3
InChIKeyYIPHVNLISLAQMV-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110882272) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID110882272
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(C2CCCCCN2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-24-19-8-6-17(7-9-19)20-5-3-2-4-10-22(20)16-18(23)15-21-11-13-25-14-12-21/h6-9,18,20,23H,2-5,10-16H2,1H3
InChIKeyYIPHVNLISLAQMV-UHFFFAOYSA-N
XLogP2.31
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51927197
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110883592
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827409
(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51963960
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111452480
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
CID 111422289
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 110882272) is 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol is COc1ccc(C2CCCCCN2CC(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is YIPHVNLISLAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-24-19-8-6-17(7-9-19)20-5-3-2-4-10-22(20)16-18(23)15-21-11-13-25-14-12-21/h6-9,18,20,23H,2-5,10-16H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 348.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110882272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).