[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol

C16H31NO2 — CID 102967517

IUPAC[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
SMILESCOC1CN(CC2(CO)CCCCCC2)CCC1C
InChIInChI=1S/C16H31NO2/c1-14-7-10-17(11-15(14)19-2)12-16(13-18)8-5-3-4-6-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyFJTIVGTZGYBGSR-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.68
Rot. Bonds4

About [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol

[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol (PubChem CID 102967517) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol.

Molecular Properties

Compound Name[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
PubChem CID102967517
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol
SMILESCOC1CN(CC2(CO)CCCCCC2)CCC1C
InChIInChI=1S/C16H31NO2/c1-14-7-10-17(11-15(14)19-2)12-16(13-18)8-5-3-4-6-9-16/h14-15,18H,3-13H2,1-2H3
InChIKeyFJTIVGTZGYBGSR-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]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

[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
CID 176926700
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol?
The IUPAC name of [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol (CID 102967517) is [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol.
What is the SMILES notation for [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol?
The canonical SMILES for [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol is COC1CN(CC2(CO)CCCCCC2)CCC1C.
What is the InChIKey of [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol?
The InChIKey is FJTIVGTZGYBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14-7-10-17(11-15(14)19-2)12-16(13-18)8-5-3-4-6-9-16/h14-15,18H,3-13H2,1-2H3.
What are the key properties of [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol?
[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cycloheptyl]methanol is sourced from PubChem (CID 102967517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).