(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C21H39N5O — CID 95046606

IUPAC(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESC[C@@H](O)Cc1cn(C2CCN(CC(C)(C)CN3CCCCCC3)CC2)nn1
InChIInChI=1S/C21H39N5O/c1-18(27)14-19-15-26(23-22-19)20-8-12-25(13-9-20)17-21(2,3)16-24-10-6-4-5-7-11-24/h15,18,20,27H,4-14,16-17H2,1-3H3/t18-/m1/s1
InChIKeyAOJIKDPSJISXKV-GOSISDBHSA-N
MW377.58 g/mol
LogP2.74
Rot. Bonds7

About (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 95046606) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID95046606
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC Name(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESC[C@@H](O)Cc1cn(C2CCN(CC(C)(C)CN3CCCCCC3)CC2)nn1
InChIInChI=1S/C21H39N5O/c1-18(27)14-19-15-26(23-22-19)20-8-12-25(13-9-20)17-21(2,3)16-24-10-6-4-5-7-11-24/h15,18,20,27H,4-14,16-17H2,1-3H3/t18-/m1/s1
InChIKeyAOJIKDPSJISXKV-GOSISDBHSA-N
XLogP2.74
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[1-[1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 31161314
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
(2S)-2-[4-[4-(azepan-1-ylmethyl)triazol-1-yl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 95046771
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CID 45186032
N-[[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]methyl]propan-2-amine
CID 171743056
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
4-[4-(1,4-diazepan-1-ylmethyl)triazol-1-yl]-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 30882220
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
N-methyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46995833
1-(2,2,4-trimethylpentyl)piperidine
CID 169190328
[1-[(3S)-1-propylpyrrolidin-3-yl]triazol-4-yl]methanol
CID 129496812

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 95046606) is (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is C[C@@H](O)Cc1cn(C2CCN(CC(C)(C)CN3CCCCCC3)CC2)nn1.
What is the InChIKey of (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is AOJIKDPSJISXKV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H39N5O/c1-18(27)14-19-15-26(23-22-19)20-8-12-25(13-9-20)17-21(2,3)16-24-10-6-4-5-7-11-24/h15,18,20,27H,4-14,16-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
(2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 377.58 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[1-[3-(azepan-1-yl)-2,2-dimethylpropyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 95046606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).