1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine

C23H47N5 — CID 142839720

IUPAC1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H25N3.C11H22N2/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-12H2,1H3;11H,2-10H2,1H3
InChIKeyNPMFMKXWNIHHBA-UHFFFAOYSA-N
MW393.66 g/mol
LogP2.29
Rot. Bonds4

About 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine

1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine (PubChem CID 142839720) has the molecular formula C23H47N5 and a molecular weight of 393.66 g/mol. Its IUPAC name is 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine
PubChem CID142839720
Molecular FormulaC23H47N5
Molecular Weight393.66 g/mol
Exact Mass393.38
IUPAC Name1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H25N3.C11H22N2/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-12H2,1H3;11H,2-10H2,1H3
InChIKeyNPMFMKXWNIHHBA-UHFFFAOYSA-N
XLogP2.29
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine 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

4-(1-Piperidyl)-1-[3-[4-(1-piperidyl)-1-piperidyl]propyl]piperidine
CID 455458
1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
2-[4-(3-Fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 170006948
1,4-Bis[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperazine
CID 199670
1,4-Bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperazine
CID 3063129
1-Ethyl-4-[5-(4-ethyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 118732350
1-Propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 118732352
1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 432527
4-Piperidin-1-yl-1-[(4-piperidin-1-ylpiperidin-1-yl)methyl]piperidine
CID 18935184
1,3,5-Tris(1-ethylpiperidin-3-yl)-1,3,5-triazinane
CID 20386275
1-Methyl-4-[3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364636

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine (CID 142839720) is 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine is CN1CCC(N2CCCCC2)CC1.CN1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine?
The InChIKey is NPMFMKXWNIHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C11H22N2/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;1-12-9-5-11(6-10-12)13-7-3-2-4-8-13/h2-12H2,1H3;11H,2-10H2,1H3.
What are the key properties of 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine?
1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine has a molecular weight of 393.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 142839720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).