(2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

C26H43NO — CID 99573905

About (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

(2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (PubChem CID 99573905) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

• Compound Name: (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
• PubChem CID: 99573905
• Molecular Formula: C26H43NO
• Molecular Weight: 385.64 g/mol
• Exact Mass: 385.33
• IUPAC Name: (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
• SMILES: C[C@]12C/C(=C\N3CCCCC3)CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O
• InChI: InChI=1S/C26H43NO/c1-24-17-19(18-27-15-5-4-6-16-27)7-8-20(24)9-10-21-22(24)11-13-25(2)23(21)12-14-26(25,3)28/h18,20-23,28H,4-17H2,1-3H3/b19-18-/t20-,21-,22+,23+,24+,25+,26-/m1/s1
• InChIKey: WPOIDUGUNBOEGE-CLNNFNBPSA-N
• XLogP: 6.15
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.64
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?

The IUPAC name of (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol (CID 99573905) is (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol.

What is the SMILES notation for (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?

The canonical SMILES for (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is C[C@]12C/C(=C\N3CCCCC3)CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O.

What is the InChIKey of (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?

The InChIKey is WPOIDUGUNBOEGE-CLNNFNBPSA-N. The full InChI is InChI=1S/C26H43NO/c1-24-17-19(18-27-15-5-4-6-16-27)7-8-20(24)9-10-21-22(24)11-13-25(2)23(21)12-14-26(25,3)28/h18,20-23,28H,4-17H2,1-3H3/b19-18-/t20-,21-,22+,23+,24+,25+,26-/m1/s1.

What are the key properties of (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol?

(2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol has a molecular weight of 385.64 g/mol, XLogP of 6.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5S,8R,9S,10S,13S,14S,17R)-10,13,17-trimethyl-2-(piperidin-1-ylmethylidene)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 99573905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).