1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

C16H28N4 — CID 166010057

IUPAC1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H28N4/c1-16(2,3)20-10-8-19(9-11-20)15-7-6-14(12-17-15)13-18(4)5/h6-7,12H,8-11,13H2,1-5H3
InChIKeyGRXOIYAJTASZHM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.06
Rot. Bonds3

About 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 166010057) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID166010057
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H28N4/c1-16(2,3)20-10-8-19(9-11-20)15-7-6-14(12-17-15)13-18(4)5/h6-7,12H,8-11,13H2,1-5H3
InChIKeyGRXOIYAJTASZHM-UHFFFAOYSA-N
XLogP2.06
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
4-acetyl-2-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 133457756
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)ethanone
CID 126798913
4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171429593
N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 143695850
1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 166215967
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
[4-(dimethylamino)-2,3-dihydrochromen-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166213116
(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
CID 99629566
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 75467585
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (CID 166010057) is 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(N2CCN(C(C)(C)C)CC2)nc1.
What is the InChIKey of 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is GRXOIYAJTASZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)20-10-8-19(9-11-20)15-7-6-14(12-17-15)13-18(4)5/h6-7,12H,8-11,13H2,1-5H3.
What are the key properties of 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166010057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).