1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol

C14H27NO2 — CID 103358661

IUPAC1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(CO)CCCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-13(17)8-9-15(10-13)11-14(12-16)6-4-2-3-5-7-14/h16-17H,2-12H2,1H3
InChIKeyLEQVQWKPRZPEMP-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.78
Rot. Bonds3

About 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol

1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358661) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
PubChem CID103358661
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(CO)CCCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-13(17)8-9-15(10-13)11-14(12-16)6-4-2-3-5-7-14/h16-17H,2-12H2,1H3
InChIKeyLEQVQWKPRZPEMP-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
1-Tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 126492637
(3R,4S)-4-(cycloheptylmethyl)-1-methylpyrrolidin-3-ol
CID 145748014
5-[1-(2,2-Dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol
CID 155794042
(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
CID 170266119
(3S)-1-methyl-4-nonan-2-ylpyrrolidin-3-ol
CID 170266893
2-[[Ethyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
CID 62608855
2-[[2-Hydroxyethyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62608858
2-[(3-Methylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
CID 62609039
2-[[2-Hydroxyethyl(propyl)amino]methyl]cycloheptan-1-ol
CID 62609233
2-[[Bis(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
CID 62609388
2-[[Butyl(2-hydroxyethyl)amino]methyl]cycloheptan-1-ol
CID 62609402

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol (CID 103358661) is 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC2(CO)CCCCCC2)C1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is LEQVQWKPRZPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(17)8-9-15(10-13)11-14(12-16)6-4-2-3-5-7-14/h16-17H,2-12H2,1H3.
What are the key properties of 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol?
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 241.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cycloheptyl]methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).