1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine

C20H41N3 — CID 167538514

IUPAC1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CCN1CCC(CCN2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-18(2)5-9-21-10-6-20(7-11-21)8-12-22-13-15-23(16-14-22)17-19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyBMBNDYOVXHDWDO-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.41
Rot. Bonds8

About 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine

1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine (PubChem CID 167538514) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
PubChem CID167538514
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CCN1CCC(CCN2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H41N3/c1-18(2)5-9-21-10-6-20(7-11-21)8-12-22-13-15-23(16-14-22)17-19(3)4/h18-20H,5-17H2,1-4H3
InChIKeyBMBNDYOVXHDWDO-UHFFFAOYSA-N
XLogP3.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
(2S)-1-[4-(3-methylbutyl)piperazin-1-yl]propane-2-thiol
CID 58721634
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
3-[2-[4-(2-methylpropyl)-1,4-diazepan-1-yl]ethyl]thiolane 1,1-dioxide
CID 134703928
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 167593861

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine (CID 167538514) is 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine is CC(C)CCN1CCC(CCN2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine?
The InChIKey is BMBNDYOVXHDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-18(2)5-9-21-10-6-20(7-11-21)8-12-22-13-15-23(16-14-22)17-19(3)4/h18-20H,5-17H2,1-4H3.
What are the key properties of 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine?
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine has a molecular weight of 323.57 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 167538514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).