1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine

C10H21N3 — CID 14627372

IUPAC1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
SMILESCN1CCN(CC2CCNC2)CC1
InChIInChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h10-11H,2-9H2,1H3
InChIKeyNNTJOHSYFADPRS-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.16
Rot. Bonds2

About 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine

1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine (PubChem CID 14627372) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
PubChem CID14627372
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
SMILESCN1CCN(CC2CCNC2)CC1
InChIInChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h10-11H,2-9H2,1H3
InChIKeyNNTJOHSYFADPRS-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine (CID 14627372) is 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine is CN1CCN(CC2CCNC2)CC1.
What is the InChIKey of 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine?
The InChIKey is NNTJOHSYFADPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine?
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine has a molecular weight of 183.30 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine is sourced from PubChem (CID 14627372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).