1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

C18H33NO — CID 79559304

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)CC1CC2CCC1C2)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-18(2,19-9-5-4-6-10-19)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3
InChIKeyYGWAAPREOMXJBL-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 79559304) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
PubChem CID79559304
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCC(C)(C(O)CC1CC2CCC1C2)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-18(2,19-9-5-4-6-10-19)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3
InChIKeyYGWAAPREOMXJBL-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol with MolForge

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241237
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79558530
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241599
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
3-methyl-3-piperidin-1-yloct-7-yn-4-ol
CID 79065810
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (CID 79559304) is 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is CCC(C)(C(O)CC1CC2CCC1C2)N1CCCCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is YGWAAPREOMXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-18(2,19-9-5-4-6-10-19)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 279.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 79559304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).