[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol

C11H23N3O — CID 83821345

IUPAC[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
SMILESCN1CCN(CC2CCNC2)C(CO)C1
InChIInChI=1S/C11H23N3O/c1-13-4-5-14(11(8-13)9-15)7-10-2-3-12-6-10/h10-12,15H,2-9H2,1H3
InChIKeyOJTGVNGVMDIBBY-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.80
Rot. Bonds3

About [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol

[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol (PubChem CID 83821345) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
PubChem CID83821345
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
SMILESCN1CCN(CC2CCNC2)C(CO)C1
InChIInChI=1S/C11H23N3O/c1-13-4-5-14(11(8-13)9-15)7-10-2-3-12-6-10/h10-12,15H,2-9H2,1H3
InChIKeyOJTGVNGVMDIBBY-UHFFFAOYSA-N
XLogP-0.80
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1-pyrrolidin-3-ylpiperazin-2-yl)methanol
CID 83819174
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
CID 170184837
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669951
[(6S)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669953
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
CID 83817785
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol?
The IUPAC name of [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol (CID 83821345) is [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol?
The canonical SMILES for [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol is CN1CCN(CC2CCNC2)C(CO)C1.
What is the InChIKey of [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol?
The InChIKey is OJTGVNGVMDIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-4-5-14(11(8-13)9-15)7-10-2-3-12-6-10/h10-12,15H,2-9H2,1H3.
What are the key properties of [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol?
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 83821345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).