1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol

C12H24N2O — CID 23190313

IUPAC1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
SMILESCC1(C)CCNC(CN2CCC(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)4-5-13-10(7-12)8-14-6-3-11(15)9-14/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMVJPSTDFQHZZRK-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds2

About 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol

1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 23190313) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID23190313
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
SMILESCC1(C)CCNC(CN2CCC(O)C2)C1
InChIInChI=1S/C12H24N2O/c1-12(2)4-5-13-10(7-12)8-14-6-3-11(15)9-14/h10-11,13,15H,3-9H2,1-2H3
InChIKeyMVJPSTDFQHZZRK-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol (CID 23190313) is 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol is CC1(C)CCNC(CN2CCC(O)C2)C1.
What is the InChIKey of 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is MVJPSTDFQHZZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)4-5-13-10(7-12)8-14-6-3-11(15)9-14/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol?
1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 23190313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).