2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol

C12H24N2O — CID 115741583

IUPAC2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c15-8-4-12-3-7-14(10-12)9-11-1-5-13-6-2-11/h11-13,15H,1-10H2
InChIKeyMNTKKDIXLGOJTP-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.69
Rot. Bonds4

About 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol

2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol (PubChem CID 115741583) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
PubChem CID115741583
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c15-8-4-12-3-7-14(10-12)9-11-1-5-13-6-2-11/h11-13,15H,1-10H2
InChIKeyMNTKKDIXLGOJTP-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 114800248
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
CID 114800298
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
CID 120851709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol (CID 115741583) is 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CC2CCNCC2)C1.
What is the InChIKey of 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is MNTKKDIXLGOJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-8-4-12-3-7-14(10-12)9-11-1-5-13-6-2-11/h11-13,15H,1-10H2.
What are the key properties of 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol?
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115741583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).