3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol

C11H22N2O — CID 106639663

IUPAC3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
SMILESCC1CN(CC2CCCN2)CCC1O
InChIInChI=1S/C11H22N2O/c1-9-7-13(6-4-11(9)14)8-10-3-2-5-12-10/h9-12,14H,2-8H2,1H3
InChIKeyRBUFAHSPAGXNCL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds2

About 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol

3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol (PubChem CID 106639663) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
PubChem CID106639663
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
SMILESCC1CN(CC2CCCN2)CCC1O
InChIInChI=1S/C11H22N2O/c1-9-7-13(6-4-11(9)14)8-10-3-2-5-12-10/h9-12,14H,2-8H2,1H3
InChIKeyRBUFAHSPAGXNCL-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
3-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819669
1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 164658028
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol (CID 106639663) is 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol is CC1CN(CC2CCCN2)CCC1O.
What is the InChIKey of 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol?
The InChIKey is RBUFAHSPAGXNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-7-13(6-4-11(9)14)8-10-3-2-5-12-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol?
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 106639663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).