1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine

C26H56N4 — CID 157374634

IUPAC1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyBKEFPVHBIMHVPD-UHFFFAOYSA-N
MW424.76 g/mol
LogP4.76
Rot. Bonds6

About 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine

1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine (PubChem CID 157374634) has the molecular formula C26H56N4 and a molecular weight of 424.76 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
PubChem CID157374634
Molecular FormulaC26H56N4
Molecular Weight424.76 g/mol
Exact Mass424.45
IUPAC Name1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyBKEFPVHBIMHVPD-UHFFFAOYSA-N
XLogP4.76
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.76
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
CID 3048018
N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
CID 3062531
4-[6-(4,4-Dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium
CID 3065015
1-(2,2-Dimethylpropyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 53701480
1-Methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]pentyl]piperazine
CID 53905983
1-Ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 67972683
1-Butyl-1-[2-(1-butylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 67972814
1-[3-[3-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine
CID 69465678
1-[3-[3-[3-(3,5-Dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
CID 69467584
1-[3-[3-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
CID 69468292
3,5-Dimethyl-1-[3-[3-[3-(3-methylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]piperidine
CID 69469025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine (CID 157374634) is 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine?
The InChIKey is BKEFPVHBIMHVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.C8H17N/c1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine?
1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine has a molecular weight of 424.76 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 157374634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).