2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H30N4O — CID 154797944

IUPAC2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)(C)n1cc(CN2CCCC2C2CCCCC2O)nn1
InChIInChI=1S/C17H30N4O/c1-17(2,3)21-12-13(18-19-21)11-20-10-6-8-15(20)14-7-4-5-9-16(14)22/h12,14-16,22H,4-11H2,1-3H3
InChIKeyIDPCIYIAGAUWJJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 154797944) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID154797944
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)(C)n1cc(CN2CCCC2C2CCCCC2O)nn1
InChIInChI=1S/C17H30N4O/c1-17(2,3)21-12-13(18-19-21)11-20-10-6-8-15(20)14-7-4-5-9-16(14)22/h12,14-16,22H,4-11H2,1-3H3
InChIKeyIDPCIYIAGAUWJJ-UHFFFAOYSA-N
XLogP2.55
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[(2R)-1-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129352895
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
trans-(1R,2R)-2-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129349934
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
1-[(1-tert-butyltriazol-4-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837955
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 120836716
2-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339641
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
4-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzamide
CID 129480393
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 154797944) is 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CC(C)(C)n1cc(CN2CCCC2C2CCCCC2O)nn1.
What is the InChIKey of 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is IDPCIYIAGAUWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(2,3)21-12-13(18-19-21)11-20-10-6-8-15(20)14-7-4-5-9-16(14)22/h12,14-16,22H,4-11H2,1-3H3.
What are the key properties of 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-tert-butyltriazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 154797944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).