2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol

C14H23N3O — CID 63104400

IUPAC2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3O/c1-14(2,18)12-17-8-6-16(7-9-17)11-13-4-3-5-15-10-13/h3-5,10,18H,6-9,11-12H2,1-2H3
InChIKeyKYTBBXSNFSVBDU-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.97
Rot. Bonds4

About 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol

2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 63104400) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID63104400
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C14H23N3O/c1-14(2,18)12-17-8-6-16(7-9-17)11-13-4-3-5-15-10-13/h3-5,10,18H,6-9,11-12H2,1-2H3
InChIKeyKYTBBXSNFSVBDU-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 134595629
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102065
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol (CID 63104400) is 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol is CC(C)(O)CN1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is KYTBBXSNFSVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,18)12-17-8-6-16(7-9-17)11-13-4-3-5-15-10-13/h3-5,10,18H,6-9,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 63104400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).