1-methyl-4-(4-propyl-2-pyridinyl)piperazine

C13H21N3 — CID 145392081

IUPAC1-methyl-4-(4-propyl-2-pyridinyl)piperazine
SMILESCCCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHETMDZYFPIAPAY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-4-(4-propyl-2-pyridinyl)piperazine

1-methyl-4-(4-propyl-2-pyridinyl)piperazine (PubChem CID 145392081) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-(4-propyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-propyl-2-pyridinyl)piperazine
PubChem CID145392081
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-4-(4-propyl-2-pyridinyl)piperazine
SMILESCCCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHETMDZYFPIAPAY-UHFFFAOYSA-N
XLogP1.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine
CID 141399063
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
[2-(4-methylpiperazin-1-yl)-6-propyl-4-pyridinyl]methanamine
CID 113381277
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
2-methyl-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-pentylguanidine;hydroiodide
CID 111128632
1-hexyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049024
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193968
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111049026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine (CID 145392081) is 1-methyl-4-(4-propyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine is CCCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The InChIKey is HETMDZYFPIAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
1-methyl-4-(4-propyl-2-pyridinyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine is sourced from PubChem (CID 145392081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).