[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol

C14H23N3O — CID 55116637

IUPAC[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
SMILESCC(C)CN1CCN(c2cc(CO)ccn2)CC1
InChIInChI=1S/C14H23N3O/c1-12(2)10-16-5-7-17(8-6-16)14-9-13(11-18)3-4-15-14/h3-4,9,12,18H,5-8,10-11H2,1-2H3
InChIKeyCCIIGTXRNRTYLD-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.35
Rot. Bonds4

About [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol

[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol (PubChem CID 55116637) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
PubChem CID55116637
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
SMILESCC(C)CN1CCN(c2cc(CO)ccn2)CC1
InChIInChI=1S/C14H23N3O/c1-12(2)10-16-5-7-17(8-6-16)14-9-13(11-18)3-4-15-14/h3-4,9,12,18H,5-8,10-11H2,1-2H3
InChIKeyCCIIGTXRNRTYLD-UHFFFAOYSA-N
XLogP1.35
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-pyridinyl]methanol
CID 62890369
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 115416914
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
CID 110008942
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol (CID 55116637) is [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol is CC(C)CN1CCN(c2cc(CO)ccn2)CC1.
What is the InChIKey of [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol?
The InChIKey is CCIIGTXRNRTYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(2)10-16-5-7-17(8-6-16)14-9-13(11-18)3-4-15-14/h3-4,9,12,18H,5-8,10-11H2,1-2H3.
What are the key properties of [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol?
[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 55116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).