4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine

C19H39N3 — CID 154670454

IUPAC4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(C(C)CC)CC2)CC1C
InChIInChI=1S/C19H39N3/c1-5-10-21-15-14-20(16-18(21)4)11-7-19-8-12-22(13-9-19)17(3)6-2/h17-19H,5-16H2,1-4H3
InChIKeyFGVGHUNISFZLEC-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine

4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine (PubChem CID 154670454) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine.

Molecular Properties

Compound Name4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
PubChem CID154670454
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCN(C(C)CC)CC2)CC1C
InChIInChI=1S/C19H39N3/c1-5-10-21-15-14-20(16-18(21)4)11-7-19-8-12-22(13-9-19)17(3)6-2/h17-19H,5-16H2,1-4H3
InChIKeyFGVGHUNISFZLEC-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 99810648
(2R)-1-butan-2-yl-2-methyl-4-[4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628931
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170616884
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
(2S)-4-[[1-(1-heptan-2-ylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-dimethylpiperazine
CID 174276314
1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628957
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616883
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine?
The IUPAC name of 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine (CID 154670454) is 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine.
What is the SMILES notation for 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine?
The canonical SMILES for 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine is CCCN1CCN(CCC2CCN(C(C)CC)CC2)CC1C.
What is the InChIKey of 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine?
The InChIKey is FGVGHUNISFZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-5-10-21-15-14-20(16-18(21)4)11-7-19-8-12-22(13-9-19)17(3)6-2/h17-19H,5-16H2,1-4H3.
What are the key properties of 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine?
4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine has a molecular weight of 309.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine is sourced from PubChem (CID 154670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).