[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol

C13H20ClN3O — CID 61256440

IUPAC[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESCCCN1CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C13H20ClN3O/c1-2-5-16-6-8-17(9-7-16)13-4-3-11(14)12(10-18)15-13/h3-4,18H,2,5-10H2,1H3
InChIKeyNKWYBJDZNDXTQR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.76
Rot. Bonds4

About [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol

[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol (PubChem CID 61256440) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
PubChem CID61256440
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
SMILESCCCN1CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C13H20ClN3O/c1-2-5-16-6-8-17(9-7-16)13-4-3-11(14)12(10-18)15-13/h3-4,18H,2,5-10H2,1H3
InChIKeyNKWYBJDZNDXTQR-UHFFFAOYSA-N
XLogP1.76
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
CID 114412403
3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
CID 61419845
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
2-[4-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62888188
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
6-(4-propylpiperazin-1-yl)pyridin-2-amine
CID 69447331
[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methanol
CID 61257087
N-[[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63004009
[3-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]methanol
CID 83220671

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol (CID 61256440) is [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol is CCCN1CCN(c2ccc(Cl)c(CO)n2)CC1.
What is the InChIKey of [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol?
The InChIKey is NKWYBJDZNDXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-5-16-6-8-17(9-7-16)13-4-3-11(14)12(10-18)15-13/h3-4,18H,2,5-10H2,1H3.
What are the key properties of [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol?
[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol has a molecular weight of 269.78 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 61256440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).