[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol

C15H29NO3 — CID 102936478

IUPAC[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CC2(CO)CCCCCC2)CC(CO)O1
InChIInChI=1S/C15H29NO3/c1-13-8-16(9-14(10-17)19-13)11-15(12-18)6-4-2-3-5-7-15/h13-14,17-18H,2-12H2,1H3
InChIKeyPFAWZISEXHPPHA-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.40
Rot. Bonds4

About [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol

[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102936478) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102936478
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CC2(CO)CCCCCC2)CC(CO)O1
InChIInChI=1S/C15H29NO3/c1-13-8-16(9-14(10-17)19-13)11-15(12-18)6-4-2-3-5-7-15/h13-14,17-18H,2-12H2,1H3
InChIKeyPFAWZISEXHPPHA-UHFFFAOYSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
CID 177216803
[4-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102932273
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
[6-methyl-4-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]morpholin-2-yl]methanol
CID 102936430
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
[4-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936442
[6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methanol;hydrochloride
CID 120904966
1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-3,4-diol
CID 106674244
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
CID 113336189

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol (CID 102936478) is [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(CC2(CO)CCCCCC2)CC(CO)O1.
What is the InChIKey of [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is PFAWZISEXHPPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13-8-16(9-14(10-17)19-13)11-15(12-18)6-4-2-3-5-7-15/h13-14,17-18H,2-12H2,1H3.
What are the key properties of [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol?
[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 271.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102936478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).