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

C17H34N2O2 — CID 111452480

IUPAC1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)CC1CCCCCN1CC(O)CN1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-15(2)12-16-6-4-3-5-7-19(16)14-17(20)13-18-8-10-21-11-9-18/h15-17,20H,3-14H2,1-2H3
InChIKeySVGWUNGUHYJVRG-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.97
Rot. Bonds6

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

1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111452480) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID111452480
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)CC1CCCCCN1CC(O)CN1CCOCC1
InChIInChI=1S/C17H34N2O2/c1-15(2)12-16-6-4-3-5-7-19(16)14-17(20)13-18-8-10-21-11-9-18/h15-17,20H,3-14H2,1-2H3
InChIKeySVGWUNGUHYJVRG-UHFFFAOYSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 99104205
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040
(2S)-1-morpholin-4-yl-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129461226
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
CID 114337983
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
(2R)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95610429
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 111452480) is 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol is CC(C)CC1CCCCCN1CC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is SVGWUNGUHYJVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2)12-16-6-4-3-5-7-19(16)14-17(20)13-18-8-10-21-11-9-18/h15-17,20H,3-14H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 298.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111452480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).