1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol

C10H21N3O — CID 82506013

IUPAC1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CN2CCNCC2)C1
InChIInChI=1S/C10H21N3O/c1-12-5-2-10(14,8-12)9-13-6-3-11-4-7-13/h11,14H,2-9H2,1H3
InChIKeyFSOSRYBHHWMIMW-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.04
Rot. Bonds2

About 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol

1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 82506013) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID82506013
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(CN2CCNCC2)C1
InChIInChI=1S/C10H21N3O/c1-12-5-2-10(14,8-12)9-13-6-3-11-4-7-13/h11,14H,2-9H2,1H3
InChIKeyFSOSRYBHHWMIMW-UHFFFAOYSA-N
XLogP-1.04
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
CID 82509991
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
CID 162742269
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
3-(cyclopropylmethyl)-1-methylpyrrolidin-3-ol
CID 59504968
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
4-(azetidin-1-ylmethyl)azepan-4-ol
CID 84718848

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol (CID 82506013) is 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol is CN1CCC(O)(CN2CCNCC2)C1.
What is the InChIKey of 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FSOSRYBHHWMIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-5-2-10(14,8-12)9-13-6-3-11-4-7-13/h11,14H,2-9H2,1H3.
What are the key properties of 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol?
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 199.30 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 82506013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).