2-butyl-N,N-diethylpiperazin-1-amine

C12H27N3 — CID 174381247

IUPAC2-butyl-N,N-diethylpiperazin-1-amine
SMILESCCCCC1CNCCN1N(CC)CC
InChIInChI=1S/C12H27N3/c1-4-7-8-12-11-13-9-10-15(12)14(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyLVBKFMBPWRUJIP-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.71
Rot. Bonds6

About 2-butyl-N,N-diethylpiperazin-1-amine

2-butyl-N,N-diethylpiperazin-1-amine (PubChem CID 174381247) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-butyl-N,N-diethylpiperazin-1-amine.

Molecular Properties

Compound Name2-butyl-N,N-diethylpiperazin-1-amine
PubChem CID174381247
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-butyl-N,N-diethylpiperazin-1-amine
SMILESCCCCC1CNCCN1N(CC)CC
InChIInChI=1S/C12H27N3/c1-4-7-8-12-11-13-9-10-15(12)14(5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyLVBKFMBPWRUJIP-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-triethylpiperazin-1-amine
CID 174432887
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N,N-diethyl-2-propylpiperidin-1-amine
CID 172797945
2-(2-pentylpiperazin-1-yl)-1-phenylethanone
CID 66668802
2-(2-pentylpiperazin-1-yl)aniline
CID 70084517
2-(1-butylpiperazin-2-yl)acetaldehyde
CID 54035892
1-ethoxy-2-propylpiperazine
CID 174859898
3-(2-butylpiperazin-1-yl)benzoic acid
CID 75088491
methyl 4-[(2R)-2-butylpiperazin-1-yl]benzoate
CID 45072946
methyl 2-(2-butylpiperazin-1-yl)benzoate
CID 75088525
methyl-(2-propylpiperazin-1-yl)borinic acid
CID 20644591
2-(1-heptylpiperazin-2-yl)acetaldehyde
CID 54004114

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-diethylpiperazin-1-amine?
The IUPAC name of 2-butyl-N,N-diethylpiperazin-1-amine (CID 174381247) is 2-butyl-N,N-diethylpiperazin-1-amine.
What is the SMILES notation for 2-butyl-N,N-diethylpiperazin-1-amine?
The canonical SMILES for 2-butyl-N,N-diethylpiperazin-1-amine is CCCCC1CNCCN1N(CC)CC.
What is the InChIKey of 2-butyl-N,N-diethylpiperazin-1-amine?
The InChIKey is LVBKFMBPWRUJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-7-8-12-11-13-9-10-15(12)14(5-2)6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-butyl-N,N-diethylpiperazin-1-amine?
2-butyl-N,N-diethylpiperazin-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-diethylpiperazin-1-amine is sourced from PubChem (CID 174381247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).