(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol

C10H21NO2 — CID 164647914

IUPAC(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
SMILESCOC1CCCN(C[C@H](C)O)CC1
InChIInChI=1S/C10H21NO2/c1-9(12)8-11-6-3-4-10(13-2)5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyVNJXQFLUAWOMIF-RGURZIINSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds3

About (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol

(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol (PubChem CID 164647914) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
PubChem CID164647914
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
SMILESCOC1CCCN(C[C@H](C)O)CC1
InChIInChI=1S/C10H21NO2/c1-9(12)8-11-6-3-4-10(13-2)5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyVNJXQFLUAWOMIF-RGURZIINSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-4-methoxyazepan-1-yl]methanamine
CID 178155799
1-(3-methoxyazetidin-1-yl)propan-2-ol
CID 126973560
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-[4-(2-aminoethoxy)piperidin-1-yl]propan-2-ol
CID 82693746
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
4-methoxy-1-(2-methylpropyl)piperidine;2-methylpropylcyclobutane
CID 163401563
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(3-methoxypiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 102966089
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol (CID 164647914) is (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol is COC1CCCN(C[C@H](C)O)CC1.
What is the InChIKey of (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol?
The InChIKey is VNJXQFLUAWOMIF-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(12)8-11-6-3-4-10(13-2)5-7-11/h9-10,12H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol?
(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyazepan-1-yl)propan-2-ol is sourced from PubChem (CID 164647914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).