2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C22H33N5O — CID 29254785

IUPAC2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cccc(N2CCC(N3CCC(n4cc(C(C)(C)O)nn4)CC3)CC2)c1
InChIInChI=1S/C22H33N5O/c1-17-5-4-6-20(15-17)26-11-7-18(8-12-26)25-13-9-19(10-14-25)27-16-21(23-24-27)22(2,3)28/h4-6,15-16,18-19,28H,7-14H2,1-3H3
InChIKeyCCYPPTWRQVNAMJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol

2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 29254785) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID29254785
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cccc(N2CCC(N3CCC(n4cc(C(C)(C)O)nn4)CC3)CC2)c1
InChIInChI=1S/C22H33N5O/c1-17-5-4-6-20(15-17)26-11-7-18(8-12-26)25-13-9-19(10-14-25)27-16-21(23-24-27)22(2,3)28/h4-6,15-16,18-19,28H,7-14H2,1-3H3
InChIKeyCCYPPTWRQVNAMJ-UHFFFAOYSA-N
XLogP3.12
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

1-(3-methylphenyl)-4-(4-piperidin-4-ylpiperidin-1-yl)piperidine;dihydrochloride
CID 154920531
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 31224091
4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
CID 114762012
2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 46998330
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
3-tert-butyl-N-[2-[[(3R)-1-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 67004653
4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 75510884
[1-[[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154891493
2-[1-[1-(thian-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925181

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 29254785) is 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol is Cc1cccc(N2CCC(N3CCC(n4cc(C(C)(C)O)nn4)CC3)CC2)c1.
What is the InChIKey of 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is CCYPPTWRQVNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17-5-4-6-20(15-17)26-11-7-18(8-12-26)25-13-9-19(10-14-25)27-16-21(23-24-27)22(2,3)28/h4-6,15-16,18-19,28H,7-14H2,1-3H3.
What are the key properties of 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 383.54 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29254785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).