(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol

C13H26N2O2 — CID 124871164

IUPAC(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCC[C@@](O)(CN2CCCC[C@H]2CO)C1
InChIInChI=1S/C13H26N2O2/c1-14-7-4-6-13(17,10-14)11-15-8-3-2-5-12(15)9-16/h12,16-17H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyKVWJZQZWLVHXQI-STQMWFEESA-N
MW242.36 g/mol
LogP0.29
Rot. Bonds3

About (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol

(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol (PubChem CID 124871164) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol
PubChem CID124871164
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCC[C@@](O)(CN2CCCC[C@H]2CO)C1
InChIInChI=1S/C13H26N2O2/c1-14-7-4-6-13(17,10-14)11-15-8-3-2-5-12(15)9-16/h12,16-17H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyKVWJZQZWLVHXQI-STQMWFEESA-N
XLogP0.29
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
CID 79536181
1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
CID 79559850
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
1-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213774
(1-ethylazepan-2-yl)methanol
CID 2849413
[(2S)-1-pent-3-ynylpiperidin-2-yl]methanol
CID 130709560
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
1-[[2-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 62276822
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
1-[(1-methylpiperidin-2-yl)methyl]cyclopropan-1-ol
CID 84765666

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol?
The IUPAC name of (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol (CID 124871164) is (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol?
The canonical SMILES for (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol is CN1CCC[C@@](O)(CN2CCCC[C@H]2CO)C1.
What is the InChIKey of (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol?
The InChIKey is KVWJZQZWLVHXQI-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-7-4-6-13(17,10-14)11-15-8-3-2-5-12(15)9-16/h12,16-17H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol?
(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol has a molecular weight of 242.36 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 124871164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).