(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C18H27N5O — CID 95290386

IUPAC(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CNCc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H27N5O/c1-15(24)14-22-9-7-16(8-10-22)11-19-12-17-13-20-23(21-17)18-5-3-2-4-6-18/h2-6,13,15-16,19,24H,7-12,14H2,1H3/t15-/m1/s1
InChIKeyVYIZNKHFMZWALR-OAHLLOKOSA-N
MW329.45 g/mol
LogP1.45
Rot. Bonds7

About (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95290386) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95290386
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CNCc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H27N5O/c1-15(24)14-22-9-7-16(8-10-22)11-19-12-17-13-20-23(21-17)18-5-3-2-4-6-18/h2-6,13,15-16,19,24H,7-12,14H2,1H3/t15-/m1/s1
InChIKeyVYIZNKHFMZWALR-OAHLLOKOSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
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CID 61019320
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
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1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
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(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
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3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
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(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95290386) is (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CNCc2cnn(-c3ccccc3)n2)CC1.
What is the InChIKey of (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is VYIZNKHFMZWALR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O/c1-15(24)14-22-9-7-16(8-10-22)11-19-12-17-13-20-23(21-17)18-5-3-2-4-6-18/h2-6,13,15-16,19,24H,7-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 329.45 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95290386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).