1-(pyrrolidin-2-ylmethyl)piperazine

C9H19N3 — CID 53406264

IUPAC1-(pyrrolidin-2-ylmethyl)piperazine
SMILESC1CNC(CN2CCNCC2)C1
InChIInChI=1S/C9H19N3/c1-2-9(11-3-1)8-12-6-4-10-5-7-12/h9-11H,1-8H2
InChIKeyIRZMKEGAPVIEMC-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.36
Rot. Bonds2

About 1-(pyrrolidin-2-ylmethyl)piperazine

1-(pyrrolidin-2-ylmethyl)piperazine (PubChem CID 53406264) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)piperazine
PubChem CID53406264
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(pyrrolidin-2-ylmethyl)piperazine
SMILESC1CNC(CN2CCNCC2)C1
InChIInChI=1S/C9H19N3/c1-2-9(11-3-1)8-12-6-4-10-5-7-12/h9-11H,1-8H2
InChIKeyIRZMKEGAPVIEMC-UHFFFAOYSA-N
XLogP-0.36
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)piperazine?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)piperazine (CID 53406264) is 1-(pyrrolidin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)piperazine is C1CNC(CN2CCNCC2)C1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)piperazine?
The InChIKey is IRZMKEGAPVIEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-9(11-3-1)8-12-6-4-10-5-7-12/h9-11H,1-8H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)piperazine?
1-(pyrrolidin-2-ylmethyl)piperazine has a molecular weight of 169.27 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)piperazine is sourced from PubChem (CID 53406264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).