[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol

C8H16ClNO2 — CID 126593945

IUPAC[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol
SMILESCOCC1(CO)CCN(Cl)CC1
InChIInChI=1S/C8H16ClNO2/c1-12-7-8(6-11)2-4-10(9)5-3-8/h11H,2-7H2,1H3
InChIKeyRGJDTGQMZWUGCL-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.86
Rot. Bonds3

About [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol

[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol (PubChem CID 126593945) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol
PubChem CID126593945
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol
SMILESCOCC1(CO)CCN(Cl)CC1
InChIInChI=1S/C8H16ClNO2/c1-12-7-8(6-11)2-4-10(9)5-3-8/h11H,2-7H2,1H3
InChIKeyRGJDTGQMZWUGCL-UHFFFAOYSA-N
XLogP0.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]methanol;hydrochloride
CID 126569824
[4-(methoxymethyl)dithiolan-4-yl]methanol
CID 18469812
[1-(trideuteriomethoxymethyl)cyclopropyl]methanol
CID 171784533
1-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-2-ol
CID 131964000
3-ethyl-3-(methoxymethyl)-1-methylpyrrolidine
CID 130347228
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
[5-ethyl-5-(methoxymethyl)-2-methyl-1,3-dioxan-2-yl]methanol
CID 58731913
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
[1-ethyl-2-(methoxymethyl)pyrrolidin-2-yl]methanol
CID 178025397
2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
CID 121203104
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517

Frequently Asked Questions

What is the IUPAC name of [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol (CID 126593945) is [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol is COCC1(CO)CCN(Cl)CC1.
What is the InChIKey of [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol?
The InChIKey is RGJDTGQMZWUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-12-7-8(6-11)2-4-10(9)5-3-8/h11H,2-7H2,1H3.
What are the key properties of [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol?
[1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol has a molecular weight of 193.67 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-4-(methoxymethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 126593945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).