1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C13H26ClN3 — CID 120967543

IUPAC1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCC1CC1CN1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3.ClH/c1-11-8-12(11)9-15-5-2-13(10-15)16-6-3-14-4-7-16;/h11-14H,2-10H2,1H3;1H
InChIKeyAXFNPCRWZFEEKW-UHFFFAOYSA-N
MW259.82 g/mol
LogP1.04
Rot. Bonds3

About 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120967543) has the molecular formula C13H26ClN3 and a molecular weight of 259.82 g/mol. Its IUPAC name is 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120967543
Molecular FormulaC13H26ClN3
Molecular Weight259.82 g/mol
Exact Mass259.18
IUPAC Name1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCC1CC1CN1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C13H25N3.ClH/c1-11-8-12(11)9-15-5-2-13(10-15)16-6-3-14-4-7-16;/h11-14H,2-10H2,1H3;1H
InChIKeyAXFNPCRWZFEEKW-UHFFFAOYSA-N
XLogP1.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 131182942
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120967543) is 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is CC1CC1CN1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is AXFNPCRWZFEEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.ClH/c1-11-8-12(11)9-15-5-2-13(10-15)16-6-3-14-4-7-16;/h11-14H,2-10H2,1H3;1H.
What are the key properties of 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120967543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).