4-(1-methylpyrrolidin-3-yl)piperazin-1-amine

C9H20N4 — CID 177318483

IUPAC4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
SMILESCN1CCC(N2CCN(N)CC2)C1
InChIInChI=1S/C9H20N4/c1-11-3-2-9(8-11)12-4-6-13(10)7-5-12/h9H,2-8,10H2,1H3
InChIKeyDNHCKOQBUJZGDF-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.82
Rot. Bonds1

About 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine

4-(1-methylpyrrolidin-3-yl)piperazin-1-amine (PubChem CID 177318483) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
PubChem CID177318483
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name4-(1-methylpyrrolidin-3-yl)piperazin-1-amine
SMILESCN1CCC(N2CCN(N)CC2)C1
InChIInChI=1S/C9H20N4/c1-11-3-2-9(8-11)12-4-6-13(10)7-5-12/h9H,2-8,10H2,1H3
InChIKeyDNHCKOQBUJZGDF-UHFFFAOYSA-N
XLogP-0.82
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
CID 164846501
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
4-iodo-3,4,5-trimethyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 167226853
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine (CID 177318483) is 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine is CN1CCC(N2CCN(N)CC2)C1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine?
The InChIKey is DNHCKOQBUJZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-3-2-9(8-11)12-4-6-13(10)7-5-12/h9H,2-8,10H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine?
4-(1-methylpyrrolidin-3-yl)piperazin-1-amine has a molecular weight of 184.29 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)piperazin-1-amine is sourced from PubChem (CID 177318483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).