5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride

C12H23ClN2O — CID 120903601

IUPAC5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
SMILESCC1(CN2CC(O)C3(CC3)C2)CCNC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-11(4-5-13-7-11)8-14-6-10(15)12(9-14)2-3-12;/h10,13,15H,2-9H2,1H3;1H
InChIKeyMSVFWFILOYJAFY-UHFFFAOYSA-N
MW246.78 g/mol
LogP0.86
Rot. Bonds2

About 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride

5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride (PubChem CID 120903601) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride.

Molecular Properties

Compound Name5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
PubChem CID120903601
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
SMILESCC1(CN2CC(O)C3(CC3)C2)CCNC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-11(4-5-13-7-11)8-14-6-10(15)12(9-14)2-3-12;/h10,13,15H,2-9H2,1H3;1H
InChIKeyMSVFWFILOYJAFY-UHFFFAOYSA-N
XLogP0.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
[6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methanol;hydrochloride
CID 120904966
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120904206
5-ethyl-5-azaspiro[2.4]heptan-7-ol
CID 59200734
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899502
1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride?
The IUPAC name of 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride (CID 120903601) is 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride.
What is the SMILES notation for 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride?
The canonical SMILES for 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride is CC1(CN2CC(O)C3(CC3)C2)CCNC1.Cl.
What is the InChIKey of 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride?
The InChIKey is MSVFWFILOYJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-11(4-5-13-7-11)8-14-6-10(15)12(9-14)2-3-12;/h10,13,15H,2-9H2,1H3;1H.
What are the key properties of 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride?
5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride is sourced from PubChem (CID 120903601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).