N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine

C16H28N4 — CID 66452314

IUPACN,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-14(17-4)16(2,3)13-19-9-11-20(12-10-19)15-7-5-6-8-18-15/h5-8,14,17H,9-13H2,1-4H3
InChIKeyALIBQSHLRAUUTA-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.84
Rot. Bonds5

About N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine

N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine (PubChem CID 66452314) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
PubChem CID66452314
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
SMILESCNC(C)C(C)(C)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-14(17-4)16(2,3)13-19-9-11-20(12-10-19)15-7-5-6-8-18-15/h5-8,14,17H,9-13H2,1-4H3
InChIKeyALIBQSHLRAUUTA-UHFFFAOYSA-N
XLogP1.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792181
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
4-[4-(4-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453832
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine (CID 66452314) is N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine is CNC(C)C(C)(C)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine?
The InChIKey is ALIBQSHLRAUUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-14(17-4)16(2,3)13-19-9-11-20(12-10-19)15-7-5-6-8-18-15/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine?
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 66452314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).