1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol

C18H27N5O — CID 111466454

IUPAC1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
SMILESCc1cc(CNCCCN2CCC(O)CC2)ccc1-n1cncn1
InChIInChI=1S/C18H27N5O/c1-15-11-16(3-4-18(15)23-14-20-13-21-23)12-19-7-2-8-22-9-5-17(24)6-10-22/h3-4,11,13-14,17,19,24H,2,5-10,12H2,1H3
InChIKeyQGSGWQLRRVLLCW-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.51
Rot. Bonds7

About 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol

1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol (PubChem CID 111466454) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
PubChem CID111466454
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
SMILESCc1cc(CNCCCN2CCC(O)CC2)ccc1-n1cncn1
InChIInChI=1S/C18H27N5O/c1-15-11-16(3-4-18(15)23-14-20-13-21-23)12-19-7-2-8-22-9-5-17(24)6-10-22/h3-4,11,13-14,17,19,24H,2,5-10,12H2,1H3
InChIKeyQGSGWQLRRVLLCW-UHFFFAOYSA-N
XLogP1.51
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 111467578
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246
3,3-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]butan-1-ol
CID 111470752
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]-2-phenylpropan-2-ol
CID 111466866
N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 86804409
1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
CID 111423505
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
CID 128976609
3-ethyl-9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 75439988
4-methyl-3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pentan-1-ol
CID 111469214
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111387366

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol (CID 111466454) is 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol is Cc1cc(CNCCCN2CCC(O)CC2)ccc1-n1cncn1.
What is the InChIKey of 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol?
The InChIKey is QGSGWQLRRVLLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-15-11-16(3-4-18(15)23-14-20-13-21-23)12-19-7-2-8-22-9-5-17(24)6-10-22/h3-4,11,13-14,17,19,24H,2,5-10,12H2,1H3.
What are the key properties of 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol?
1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol has a molecular weight of 329.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 111466454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).