2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C16H28N4O — CID 66336663

IUPAC2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4O/c1-14(2)18-12-16(3,21)13-19-8-10-20(11-9-19)15-6-4-5-7-17-15/h4-7,14,18,21H,8-13H2,1-3H3
InChIKeyNNNKQSFKWYQRPU-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.95
Rot. Bonds6

About 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 66336663) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID66336663
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4O/c1-14(2)18-12-16(3,21)13-19-8-10-20(11-9-19)15-6-4-5-7-17-15/h4-7,14,18,21H,8-13H2,1-3H3
InChIKeyNNNKQSFKWYQRPU-UHFFFAOYSA-N
XLogP0.95
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792181
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109380809
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 66336663) is 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CC(C)NCC(C)(O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is NNNKQSFKWYQRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14(2)18-12-16(3,21)13-19-8-10-20(11-9-19)15-6-4-5-7-17-15/h4-7,14,18,21H,8-13H2,1-3H3.
What are the key properties of 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 292.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 66336663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).