1-[(3S)-1-methylpyrrolidin-3-yl]piperazine

C9H19N3 — CID 94910735

IUPAC1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
SMILESCN1CC[C@H](N2CCNCC2)C1
InChIInChI=1S/C9H19N3/c1-11-5-2-9(8-11)12-6-3-10-4-7-12/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyFXALHFGVFRCIBO-VIFPVBQESA-N
MW169.27 g/mol
LogP-0.40
Rot. Bonds1

About 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine

1-[(3S)-1-methylpyrrolidin-3-yl]piperazine (PubChem CID 94910735) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
PubChem CID94910735
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
SMILESCN1CC[C@H](N2CCNCC2)C1
InChIInChI=1S/C9H19N3/c1-11-5-2-9(8-11)12-6-3-10-4-7-12/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyFXALHFGVFRCIBO-VIFPVBQESA-N
XLogP-0.40
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 ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
CID 155822363
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
CID 177318483
2-(1-methylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100971
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076
1-cyclopentylpiperazine;ethane
CID 143559542

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine (CID 94910735) is 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine is CN1CC[C@H](N2CCNCC2)C1.
What is the InChIKey of 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine?
The InChIKey is FXALHFGVFRCIBO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N3/c1-11-5-2-9(8-11)12-6-3-10-4-7-12/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine?
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine has a molecular weight of 169.27 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methylpyrrolidin-3-yl]piperazine is sourced from PubChem (CID 94910735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).