[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol

C14H27NO — CID 79183947

IUPAC[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC1CN(CC2(CO)CCCCC2)CC1C
InChIInChI=1S/C14H27NO/c1-12-8-15(9-13(12)2)10-14(11-16)6-4-3-5-7-14/h12-13,16H,3-11H2,1-2H3
InChIKeyACYKGIVNXGCVFK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.52
Rot. Bonds3

About [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol

[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 79183947) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
PubChem CID79183947
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESCC1CN(CC2(CO)CCCCC2)CC1C
InChIInChI=1S/C14H27NO/c1-12-8-15(9-13(12)2)10-14(11-16)6-4-3-5-7-14/h12-13,16H,3-11H2,1-2H3
InChIKeyACYKGIVNXGCVFK-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol (CID 79183947) is [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol is CC1CN(CC2(CO)CCCCC2)CC1C.
What is the InChIKey of [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is ACYKGIVNXGCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-8-15(9-13(12)2)10-14(11-16)6-4-3-5-7-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol?
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 79183947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).