(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride

C21H30ClNO — CID 171382292

IUPAC(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.Cl
InChIInChI=1S/C21H29NO.ClH/c1-14(15-5-6-15)22-11-10-21-9-3-2-4-18(21)20(22)12-16-7-8-17(23)13-19(16)21;/h7-8,13-15,18,20,23H,2-6,9-12H2,1H3;1H/t14-,18+,20-,21-;/m1./s1
InChIKeyZDVDSDPSPYFGBH-DRUYXYIRSA-N
MW347.93 g/mol
LogP4.67
Rot. Bonds2

About (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride

(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride (PubChem CID 171382292) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride.

Molecular Properties

Compound Name(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
PubChem CID171382292
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.Cl
InChIInChI=1S/C21H29NO.ClH/c1-14(15-5-6-15)22-11-10-21-9-3-2-4-18(21)20(22)12-16-7-8-17(23)13-19(16)21;/h7-8,13-15,18,20,23H,2-6,9-12H2,1H3;1H/t14-,18+,20-,21-;/m1./s1
InChIKeyZDVDSDPSPYFGBH-DRUYXYIRSA-N
XLogP4.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride with MolForge

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Related Compounds

(1R)-17-[(2R)-but-3-en-2-yl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 140626114
17-but-3-en-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 123783024
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(1S,9S,10R)-17-(3-methylbutyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 6916395
(1S,9S)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 15972750
(1S,9S,10R)-17-propyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 6916720
(1R,9R,13R)-10-[(1S)-1-cyclopropylethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 86580798
1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one
CID 71439144
(1S,9S,10R)-17-[(E)-but-2-enyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrobromide
CID 6917043
(1S,9S,10R)-17-[2-(4-methylphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 6916727
1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]ethanol;hydrochloride
CID 22822661
(1R,9R)-17-(1-cyclopropylethyl)-5-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-4-ol
CID 155463393

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride?
The IUPAC name of (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride (CID 171382292) is (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride.
What is the SMILES notation for (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride?
The canonical SMILES for (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride is C[C@H](C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.Cl.
What is the InChIKey of (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride?
The InChIKey is ZDVDSDPSPYFGBH-DRUYXYIRSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-14(15-5-6-15)22-11-10-21-9-3-2-4-18(21)20(22)12-16-7-8-17(23)13-19(16)21;/h7-8,13-15,18,20,23H,2-6,9-12H2,1H3;1H/t14-,18+,20-,21-;/m1./s1.
What are the key properties of (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride?
(1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-[(1R)-1-cyclopropylethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride is sourced from PubChem (CID 171382292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).