1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol

C16H28N4O — CID 103937415

IUPAC1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC[C@@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)cn1
InChIInChI=1S/C16H28N4O/c1-4-14(17)15-6-5-13(11-18-15)20-9-7-19(8-10-20)12-16(2,3)21/h5-6,11,14,21H,4,7-10,12,17H2,1-3H3/t14-/m1/s1
InChIKeyMLSPBFAQNXGQSI-CQSZACIVSA-N
MW292.43 g/mol
LogP1.38
Rot. Bonds5

About 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 103937415) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID103937415
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC[C@@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)cn1
InChIInChI=1S/C16H28N4O/c1-4-14(17)15-6-5-13(11-18-15)20-9-7-19(8-10-20)12-16(2,3)21/h5-6,11,14,21H,4,7-10,12,17H2,1-3H3/t14-/m1/s1
InChIKeyMLSPBFAQNXGQSI-CQSZACIVSA-N
XLogP1.38
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939557
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 103937415) is 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol is CC[C@@H](N)c1ccc(N2CCN(CC(C)(C)O)CC2)cn1.
What is the InChIKey of 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is MLSPBFAQNXGQSI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-14(17)15-6-5-13(11-18-15)20-9-7-19(8-10-20)12-16(2,3)21/h5-6,11,14,21H,4,7-10,12,17H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 292.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 103937415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).