1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride

C13H27ClN2O — CID 120900705

IUPAC1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(O)CC1CCCN1CC1(C)CCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(16)8-12-4-3-7-15(12)10-13(2)5-6-14-9-13;/h11-12,14,16H,3-10H2,1-2H3;1H
InChIKeyZSGZMSUAGXJTEA-UHFFFAOYSA-N
MW262.82 g/mol
LogP1.64
Rot. Bonds4

About 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride

1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride (PubChem CID 120900705) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
PubChem CID120900705
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(O)CC1CCCN1CC1(C)CCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(16)8-12-4-3-7-15(12)10-13(2)5-6-14-9-13;/h11-12,14,16H,3-10H2,1-2H3;1H
InChIKeyZSGZMSUAGXJTEA-UHFFFAOYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
CID 120899306
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751
2-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]azepane;hydrochloride
CID 120900766
2-[1-[(3-methylpyrrolidin-3-yl)methyl]azepan-2-yl]-1-thiophen-2-ylethanol;hydrochloride
CID 120901659
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899076
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120897382
2-ethyl-1-[(3-methylpiperidin-3-yl)methyl]piperidine
CID 63132783
2-(2-methylbutan-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901374
2-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122677

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride (CID 120900705) is 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride is CC(O)CC1CCCN1CC1(C)CCNC1.Cl.
What is the InChIKey of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride?
The InChIKey is ZSGZMSUAGXJTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11(16)8-12-4-3-7-15(12)10-13(2)5-6-14-9-13;/h11-12,14,16H,3-10H2,1-2H3;1H.
What are the key properties of 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride?
1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 120900705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).