(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol

C11H22N2O — CID 164644053

IUPAC(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol
SMILESC[C@@H]1CC[C@@H](O)CN1CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-9-4-5-11(14)8-13(9)7-10-3-2-6-12-10/h9-12,14H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyGQGRQUUMQGQXSE-GLYLRITDSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds2

About (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol

(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol (PubChem CID 164644053) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol
PubChem CID164644053
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol
SMILESC[C@@H]1CC[C@@H](O)CN1CC1CCCN1
InChIInChI=1S/C11H22N2O/c1-9-4-5-11(14)8-13(9)7-10-3-2-6-12-10/h9-12,14H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyGQGRQUUMQGQXSE-GLYLRITDSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 104870094
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
CID 130815946
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
3-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819349
1-ethyl-2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819534
1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 63609006
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
(2R,6R)-2,6-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 28597159
2,6-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819326
(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 17389845

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol (CID 164644053) is (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol is C[C@@H]1CC[C@@H](O)CN1CC1CCCN1.
What is the InChIKey of (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol?
The InChIKey is GQGRQUUMQGQXSE-GLYLRITDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-4-5-11(14)8-13(9)7-10-3-2-6-12-10/h9-12,14H,2-8H2,1H3/t9-,10?,11-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol?
(3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 164644053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).