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

C25H35NO2 — CID 130269308

IUPAC1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol
SMILESCC1CCN(CC(O)CCOc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1
InChIInChI=1S/C25H35NO2/c1-17-6-9-26(10-7-17)16-22(27)8-11-28-23-4-2-18(3-5-23)24-14-20-12-19-13-21(15-24)25(19,20)24/h2-5,17,19-22,27H,6-16H2,1H3
InChIKeyOTUNLRNLCRPFAP-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.24
Rot. Bonds7

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

1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol (PubChem CID 130269308) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol
PubChem CID130269308
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol
SMILESCC1CCN(CC(O)CCOc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1
InChIInChI=1S/C25H35NO2/c1-17-6-9-26(10-7-17)16-22(27)8-11-28-23-4-2-18(3-5-23)24-14-20-12-19-13-21(15-24)25(19,20)24/h2-5,17,19-22,27H,6-16H2,1H3
InChIKeyOTUNLRNLCRPFAP-UHFFFAOYSA-N
XLogP4.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
CID 130269711
4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
CID 130269238
(2S)-1-[4-(3-ethyl-1-adamantyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
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-[2-(4-bromophenoxy)ethoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 12006100
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
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
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111106170

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol (CID 130269308) is 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol is CC1CCN(CC(O)CCOc2ccc(C34CC5CC6CC(C3)C654)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol?
The InChIKey is OTUNLRNLCRPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-17-6-9-26(10-7-17)16-22(27)8-11-28-23-4-2-18(3-5-23)24-14-20-12-19-13-21(15-24)25(19,20)24/h2-5,17,19-22,27H,6-16H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol?
1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol has a molecular weight of 381.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol is sourced from PubChem (CID 130269308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).