(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride

C7H16ClNO2 — CID 170911656

IUPAC(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
SMILESCC1(CO)COCCCN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(5-9)6-10-4-2-3-8-7;/h8-9H,2-6H2,1H3;1H
InChIKeyJCZOSNQLTVFXMN-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.17
Rot. Bonds1

About (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride

(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride (PubChem CID 170911656) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
PubChem CID170911656
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride
SMILESCC1(CO)COCCCN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(5-9)6-10-4-2-3-8-7;/h8-9H,2-6H2,1H3;1H
InChIKeyJCZOSNQLTVFXMN-UHFFFAOYSA-N
XLogP0.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-1,4-oxazepan-3-yl)methanol
CID 105442734
[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
8-oxa-4-azaspiro[2.6]nonane;hydrochloride
CID 119031117
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568
3-tert-butyl-1,4-oxazepane-3-carboxylic acid
CID 105453564
O-[(3-methylmorpholin-3-yl)methyl]hydroxylamine
CID 134570153
[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
CID 105482953
2,10-dioxa-6-azaspiro[4.6]undecane
CID 118209581
(3-aminooxan-3-yl)methanol
CID 18316253
3-(1-hydroxypropan-2-yl)oxane-3-carboxylic acid
CID 130502968
3-[3-(hydroxymethyl)-1,4-oxazepan-3-yl]phenol
CID 105480408
[2-methyl-4-(sulfanylmethyl)piperazin-2-yl]methanol
CID 91077489

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride?
The IUPAC name of (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride (CID 170911656) is (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride.
What is the SMILES notation for (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride?
The canonical SMILES for (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride is CC1(CO)COCCCN1.Cl.
What is the InChIKey of (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride?
The InChIKey is JCZOSNQLTVFXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(5-9)6-10-4-2-3-8-7;/h8-9H,2-6H2,1H3;1H.
What are the key properties of (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride?
(3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-oxazepan-3-yl)methanol;hydrochloride is sourced from PubChem (CID 170911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).