1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol

C13H21N3O — CID 102546266

IUPAC1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(N2CCNCC2)nc1C
InChIInChI=1S/C13H21N3O/c1-3-12(17)11-4-5-13(15-10(11)2)16-8-6-14-7-9-16/h4-5,12,14,17H,3,6-9H2,1-2H3
InChIKeyKJWONUUKNUOBQB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.24
Rot. Bonds3

About 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol

1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol (PubChem CID 102546266) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
PubChem CID102546266
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(N2CCNCC2)nc1C
InChIInChI=1S/C13H21N3O/c1-3-12(17)11-4-5-13(15-10(11)2)16-8-6-14-7-9-16/h4-5,12,14,17H,3,6-9H2,1-2H3
InChIKeyKJWONUUKNUOBQB-UHFFFAOYSA-N
XLogP1.24
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanol
CID 124502448
(1R)-1-(6-amino-2-methyl-3-pyridinyl)propan-1-ol
CID 124502258
1-[5-(1,1-difluoroethyl)-6-methyl-2-pyridinyl]piperazine
CID 162549104
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502587
(1R)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502467
(1S)-1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 124502468
1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen
CID 156652390
4-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124502553
2-N,2-N,3-N,3-N-tetraethyl-6-piperazin-1-ylpyridine-2,3-diamine
CID 14654942
1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
6-ethoxy-2-piperazin-1-ylquinoline
CID 82166097
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The IUPAC name of 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol (CID 102546266) is 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol is CCC(O)c1ccc(N2CCNCC2)nc1C.
What is the InChIKey of 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
The InChIKey is KJWONUUKNUOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12(17)11-4-5-13(15-10(11)2)16-8-6-14-7-9-16/h4-5,12,14,17H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol?
1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 102546266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).