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

C12H24N2O — CID 56981694

IUPAC(3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCC1(C)CCN[C@H](CN2CC[C@H](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/t10-,11-/m0/s1
InChIKeyMVJPSTDFQHZZRK-QWRGUYRKSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds2

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

(3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 56981694) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol
PubChem CID56981694
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol
SMILESCC1(C)CCN[C@H](CN2CC[C@H](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/t10-,11-/m0/s1
InChIKeyMVJPSTDFQHZZRK-QWRGUYRKSA-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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Related Compounds

trans-4-(Piperidin-1-yl)pyrrolidin-3-ol
CID 29893158
(3R,4R)-4-(3-fluoro-4-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 130693804
2-(Pyrrolidin-1-yl)methyl-3-hydroxy piperidine
CID 15123236
1-[4-Methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol
CID 19439972
1-(Piperidin-2-ylmethyl)pyrrolidin-3-ol
CID 19440006
1-[(3,3-Dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
CID 23190298
1-[(4,4-Dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
CID 23190313
(S)-1-((S)-Piperidin-2-ylmethyl)pyrrolidin-3-ol
CID 23594217
(3R,5S)-5-(1-methylpiperidin-4-yl)pyrrolidin-3-ol
CID 57021624
(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol
CID 57189928
3-Pyrrolidinol, 5-[[(cyclohexylmethyl)amino]methyl]-1-ethyl-, (3R-trans)-
CID 57251133
(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
CID 58689270

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol (CID 56981694) is (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol is CC1(C)CCN[C@H](CN2CC[C@H](O)C2)C1.
What is the InChIKey of (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is MVJPSTDFQHZZRK-QWRGUYRKSA-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/t10-,11-/m0/s1.
What are the key properties of (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[(2S)-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 (3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 56981694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).