(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol

C24H41NO2 — CID 70556385

IUPAC(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC[C@@H](O)C[C@@]43C)[C@@H]1[C@H](N1CCCCC1)C[C@@H]2O
InChIInChI=1S/C24H41NO2/c1-23-11-10-19-18(9-7-16-6-8-17(26)15-24(16,19)2)22(23)20(14-21(23)27)25-12-4-3-5-13-25/h16-22,26-27H,3-15H2,1-2H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
InChIKeySVRFBQJTTFMZDP-BMSKXHDZSA-N
MW375.60 g/mol
LogP4.22
Rot. Bonds1

About (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol

(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol (PubChem CID 70556385) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol.

Molecular Properties

Compound Name(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol
PubChem CID70556385
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC[C@@H](O)C[C@@]43C)[C@@H]1[C@H](N1CCCCC1)C[C@@H]2O
InChIInChI=1S/C24H41NO2/c1-23-11-10-19-18(9-7-16-6-8-17(26)15-24(16,19)2)22(23)20(14-21(23)27)25-12-4-3-5-13-25/h16-22,26-27H,3-15H2,1-2H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
InChIKeySVRFBQJTTFMZDP-BMSKXHDZSA-N
XLogP4.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol with MolForge

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Related Compounds

(3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-16-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 70522873
10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 20525615
(10S,13S)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 146156992
(3R,5S,8R,9S,10S,13S,14S,15S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15,17-triol
CID 118725015
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-2-amino-10,13-dimethyl-16-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;hydrochloride
CID 67897503
(2S,3S,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70523445
(13S,16R)-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 143427802
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-2-(diethylamino)-3,10,13-trimethyl-16-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 70502378
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 57274576
1-[(2S,8S,14S,16S)-2,15,16-trimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-14-yl]piperidine
CID 54488415
(2S,3S,5S,8R,9R,10S,13S,14R,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 126968916
(2S,3S,10S,13S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 56604932

Frequently Asked Questions

What is the IUPAC name of (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol?
The IUPAC name of (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol (CID 70556385) is (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol.
What is the SMILES notation for (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol?
The canonical SMILES for (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol is C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC[C@@H](O)C[C@@]43C)[C@@H]1[C@H](N1CCCCC1)C[C@@H]2O.
What is the InChIKey of (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol?
The InChIKey is SVRFBQJTTFMZDP-BMSKXHDZSA-N. The full InChI is InChI=1S/C24H41NO2/c1-23-11-10-19-18(9-7-16-6-8-17(26)15-24(16,19)2)22(23)20(14-21(23)27)25-12-4-3-5-13-25/h16-22,26-27H,3-15H2,1-2H3/t16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1.
What are the key properties of (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol?
(2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol has a molecular weight of 375.60 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8R,9S,10S,13S,14S,15R,17S)-10,13-dimethyl-15-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol is sourced from PubChem (CID 70556385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).