[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol

C13H26N2O — CID 117270438

IUPAC[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(CC2CNC(C)(CO)C2)CC1
InChIInChI=1S/C13H26N2O/c1-13(10-16)8-12(9-14-13)7-11-3-5-15(2)6-4-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyAXZOLTOQCVRCIL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds3

About [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol

[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 117270438) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID117270438
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCC(CC2CNC(C)(CO)C2)CC1
InChIInChI=1S/C13H26N2O/c1-13(10-16)8-12(9-14-13)7-11-3-5-15(2)6-4-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyAXZOLTOQCVRCIL-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270870
[2-methyl-4-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270395
(4-ethyl-2-methylpyrrolidin-2-yl)methanol
CID 117270750
[4-[(dimethylamino)methyl]-2-methylpyrrolidin-2-yl]methanol
CID 117270886
(4-ethyl-2-methylpiperidin-2-yl)methanol
CID 117258535
CID 174100136
CID 174100136
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
[4-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270406
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
(2-methyl-4-pyrrolidin-3-ylpyrrolidin-2-yl)methanol
CID 117270353
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 117270438) is [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol is CN1CCC(CC2CNC(C)(CO)C2)CC1.
What is the InChIKey of [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is AXZOLTOQCVRCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(10-16)8-12(9-14-13)7-11-3-5-15(2)6-4-11/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol?
[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).