4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol

C11H22N2O — CID 68586808

IUPAC4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol
SMILESC[C@@H]1CCCN1CC1(O)CCNCC1
InChIInChI=1S/C11H22N2O/c1-10-3-2-8-13(10)9-11(14)4-6-12-7-5-11/h10,12,14H,2-9H2,1H3/t10-/m1/s1
InChIKeyCCKYYYVTDCGKNV-SNVBAGLBSA-N
MW198.31 g/mol
LogP0.59
Rot. Bonds2

About 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol

4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol (PubChem CID 68586808) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol
PubChem CID68586808
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol
SMILESC[C@@H]1CCCN1CC1(O)CCNCC1
InChIInChI=1S/C11H22N2O/c1-10-3-2-8-13(10)9-11(14)4-6-12-7-5-11/h10,12,14H,2-9H2,1H3/t10-/m1/s1
InChIKeyCCKYYYVTDCGKNV-SNVBAGLBSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol (CID 68586808) is 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol is C[C@@H]1CCCN1CC1(O)CCNCC1.
What is the InChIKey of 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol?
The InChIKey is CCKYYYVTDCGKNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-3-2-8-13(10)9-11(14)4-6-12-7-5-11/h10,12,14H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol?
4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol has a molecular weight of 198.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 68586808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).