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

C11H22N2O — CID 127014895

IUPAC(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
SMILESCN1CCCC1CN1CCC[C@H](O)C1
InChIInChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyKZOMQRIQOYQXSA-DTIOYNMSSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds2

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

(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol (PubChem CID 127014895) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
PubChem CID127014895
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
SMILESCN1CCCC1CN1CCC[C@H](O)C1
InChIInChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1
InChIKeyKZOMQRIQOYQXSA-DTIOYNMSSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
CID 106021248
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
6-[(3-hydroxypiperidin-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 75129196
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
1-(chloromethyl)piperidin-3-ol
CID 53403087
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
CID 130871108

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol (CID 127014895) is (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol is CN1CCCC1CN1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol?
The InChIKey is KZOMQRIQOYQXSA-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-6-2-4-10(12)8-13-7-3-5-11(14)9-13/h10-11,14H,2-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol?
(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 127014895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).