1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

C14H22ClN3O — CID 63102065

IUPAC1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H22ClN3O/c1-14(2,19)11-18-7-5-17(6-8-18)10-12-3-4-13(15)16-9-12/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyHCBGPHFHPHQSTJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.62
Rot. Bonds4

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

1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 63102065) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID63102065
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H22ClN3O/c1-14(2,19)11-18-7-5-17(6-8-18)10-12-3-4-13(15)16-9-12/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyHCBGPHFHPHQSTJ-UHFFFAOYSA-N
XLogP1.62
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
1-[4-[(6-chloro-3-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpropan-2-ol
CID 90018634
1-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63103864
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422245
1-[(6-chloro-3-pyridinyl)methyl]-4-(1-phenylethyl)piperazine
CID 59382116
4-[(6-chloro-3-pyridinyl)methyl]-1,4-thiazepane
CID 60773865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 63102065) is 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is HCBGPHFHPHQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-14(2,19)11-18-7-5-17(6-8-18)10-12-3-4-13(15)16-9-12/h3-4,9,19H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 63102065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).