(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

C18H34NO2+ — CID 23309528

IUPAC(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCC1)C2
InChIInChI=1S/C18H33NO2/c1-17(2)14-7-8-18(17,3)16(11-14)21-13-15(20)12-19-9-5-4-6-10-19/h14-16,20H,4-13H2,1-3H3/p+1/t14-,15-,16-,18-/m1/s1
InChIKeyKEELYYKHJSSOCT-YFHUEUNASA-O
MW296.48 g/mol
LogP1.65
Rot. Bonds5

About (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (PubChem CID 23309528) has the molecular formula C18H34NO2+ and a molecular weight of 296.48 g/mol. Its IUPAC name is (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
PubChem CID23309528
Molecular FormulaC18H34NO2+
Molecular Weight296.48 g/mol
Exact Mass296.26
IUPAC Name(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCC1)C2
InChIInChI=1S/C18H33NO2/c1-17(2)14-7-8-18(17,3)16(11-14)21-13-15(20)12-19-9-5-4-6-10-19/h14-16,20H,4-13H2,1-3H3/p+1/t14-,15-,16-,18-/m1/s1
InChIKeyKEELYYKHJSSOCT-YFHUEUNASA-O
XLogP1.65
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
(2S)-1-(azepan-1-yl)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 100802838
(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98184716
(2R)-1-(diethylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760102
(2S)-1-(propan-2-ylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124827410
1-(2-methylpropylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 18593483
(2R)-1-(2-methylpropylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760996
(2S)-1-(2-methylpropylamino)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98182501
1-(cyclopentylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
CID 18593472
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124727716
(2R)-1-(tert-butylamino)-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98182465
(2R)-1-(4-ethylpiperazin-1-yl)-3-[[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760850

Frequently Asked Questions

What is the IUPAC name of (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The IUPAC name of (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (CID 23309528) is (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The canonical SMILES for (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCCC1)C2.
What is the InChIKey of (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
The InChIKey is KEELYYKHJSSOCT-YFHUEUNASA-O. The full InChI is InChI=1S/C18H33NO2/c1-17(2)14-7-8-18(17,3)16(11-14)21-13-15(20)12-19-9-5-4-6-10-19/h14-16,20H,4-13H2,1-3H3/p+1/t14-,15-,16-,18-/m1/s1.
What are the key properties of (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?
(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol has a molecular weight of 296.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is sourced from PubChem (CID 23309528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).