(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol

C24H33NO2 — CID 130269711

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
SMILESCC1CCN(C[C@@H](O)COc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1
InChIInChI=1S/C24H33NO2/c1-16-6-8-25(9-7-16)14-21(26)15-27-22-4-2-17(3-5-22)23-12-19-10-18-11-20(13-23)24(18,19)23/h2-5,16,18-21,26H,6-15H2,1H3/t18?,19?,20?,21-,23?,24?/m1/s1
InChIKeyBTLXTDZJNPQDHI-QGFQDGJJSA-N
MW367.53 g/mol
LogP3.85
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol (PubChem CID 130269711) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
PubChem CID130269711
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
SMILESCC1CCN(C[C@@H](O)COc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1
InChIInChI=1S/C24H33NO2/c1-16-6-8-25(9-7-16)14-21(26)15-27-22-4-2-17(3-5-22)23-12-19-10-18-11-20(13-23)24(18,19)23/h2-5,16,18-21,26H,6-15H2,1H3/t18?,19?,20?,21-,23?,24?/m1/s1
InChIKeyBTLXTDZJNPQDHI-QGFQDGJJSA-N
XLogP3.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol
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CID 130247773
(2S)-1-[4-(1,7-dimethyl-3-tricyclo[3.3.1.03,7]nonanyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 130269273
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
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CID 6486810
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
4-methylpiperidine;(2S)-1-(4-methylpiperidin-1-yl)-3-[4-(3-phenyl-1-adamantyl)phenoxy]propan-2-ol;(2S)-2-[[4-(3-phenyl-1-adamantyl)phenoxy]methyl]oxirane
CID 162122103
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol (CID 130269711) is (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol is CC1CCN(C[C@@H](O)COc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol?
The InChIKey is BTLXTDZJNPQDHI-QGFQDGJJSA-N. The full InChI is InChI=1S/C24H33NO2/c1-16-6-8-25(9-7-16)14-21(26)15-27-22-4-2-17(3-5-22)23-12-19-10-18-11-20(13-23)24(18,19)23/h2-5,16,18-21,26H,6-15H2,1H3/t18?,19?,20?,21-,23?,24?/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol has a molecular weight of 367.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol is sourced from PubChem (CID 130269711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).