1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine

C9H19N3 — CID 129370918

IUPAC1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
SMILESCN1CCN([C@H]2CCCN2)CC1
InChIInChI=1S/C9H19N3/c1-11-5-7-12(8-6-11)9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyMWAJBUZHZWUUGE-VIFPVBQESA-N
MW169.27 g/mol
LogP-0.06
Rot. Bonds1

About 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine

1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine (PubChem CID 129370918) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
PubChem CID129370918
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
SMILESCN1CCN([C@H]2CCCN2)CC1
InChIInChI=1S/C9H19N3/c1-11-5-7-12(8-6-11)9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyMWAJBUZHZWUUGE-VIFPVBQESA-N
XLogP-0.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)azepane
CID 57005564
1,2-dimethyl-4-piperidin-2-ylpiperazine
CID 112546464
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CID 112546665
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
CID 112546685
1-(5-ethylpiperidin-2-yl)-4-methylpiperazine
CID 123136191
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
4-(azocan-2-yl)morpholine
CID 70413197
1-pyrrolidin-2-ylazetidin-3-ol
CID 67354372
2,4-dimethyl-1-piperidin-2-ylpiperazine
CID 112546461
1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
CID 115102287
2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-(4-piperidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 163141898
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine (CID 129370918) is 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine is CN1CCN([C@H]2CCCN2)CC1.
What is the InChIKey of 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine?
The InChIKey is MWAJBUZHZWUUGE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N3/c1-11-5-7-12(8-6-11)9-3-2-4-10-9/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine?
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine has a molecular weight of 169.27 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine is sourced from PubChem (CID 129370918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).