(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol

C16H27N3O — CID 124501540

IUPAC(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1cnc(N2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-5-15(20)14-10-13(4)16(17-11-14)19-8-6-18(7-9-19)12(2)3/h10-12,15,20H,5-9H2,1-4H3/t15-/m1/s1
InChIKeyXHLZINDWRZCOCH-OAHLLOKOSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds4

About (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol

(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol (PubChem CID 124501540) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
PubChem CID124501540
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1cnc(N2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C16H27N3O/c1-5-15(20)14-10-13(4)16(17-11-14)19-8-6-18(7-9-19)12(2)3/h10-12,15,20H,5-9H2,1-4H3/t15-/m1/s1
InChIKeyXHLZINDWRZCOCH-OAHLLOKOSA-N
XLogP2.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol with MolForge

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Related Compounds

(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
CID 124501542
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79885912
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
CID 124501455
4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501524
(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
CID 124501480
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501642
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
CID 124503154
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 79713125
N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
CID 15951459
1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
CID 102545043

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol (CID 124501540) is (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol is CC[C@@H](O)c1cnc(N2CCN(C(C)C)CC2)c(C)c1.
What is the InChIKey of (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol?
The InChIKey is XHLZINDWRZCOCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-15(20)14-10-13(4)16(17-11-14)19-8-6-18(7-9-19)12(2)3/h10-12,15,20H,5-9H2,1-4H3/t15-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol?
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 124501540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).