1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine

C14H28N4 — CID 117044513

IUPAC1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
SMILESCN1CCNC(CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C14H28N4/c1-16-9-5-15-13(10-16)11-17-8-4-14(12-17)18-6-2-3-7-18/h13-15H,2-12H2,1H3
InChIKeyCDGGORHDNNDFFF-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.06
Rot. Bonds3

About 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine

1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine (PubChem CID 117044513) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
PubChem CID117044513
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
SMILESCN1CCNC(CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C14H28N4/c1-16-9-5-15-13(10-16)11-17-8-4-14(12-17)18-6-2-3-7-18/h13-15H,2-12H2,1H3
InChIKeyCDGGORHDNNDFFF-UHFFFAOYSA-N
XLogP0.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
4-piperidin-1-yl-1-(2-pyrrolidin-2-ylethyl)piperidine
CID 61366277
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116928178
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine?
The IUPAC name of 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine (CID 117044513) is 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine is CN1CCNC(CN2CCC(N3CCCC3)C2)C1.
What is the InChIKey of 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine?
The InChIKey is CDGGORHDNNDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-16-9-5-15-13(10-16)11-17-8-4-14(12-17)18-6-2-3-7-18/h13-15H,2-12H2,1H3.
What are the key properties of 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine?
1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine has a molecular weight of 252.41 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine is sourced from PubChem (CID 117044513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).