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Rociverine

C20H37NO3 — CID 24892842

💊View drug profile → rociverine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtrans-1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
SMILESCCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1
InChIKeyXPYLKZZOBVLVHB-QDKIRNHSSA-N
MW339.52 g/mol
LogP3.76
Rot. Bonds7

About Rociverine

Rociverine (PubChem CID 24892842) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is trans-1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound NameRociverine
PubChem CID24892842
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Nametrans-1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
SMILESCCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1
InChIKeyXPYLKZZOBVLVHB-QDKIRNHSSA-N
XLogP3.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diethylamino)ethyl cyclohexyl(1-hydroxycyclohexyl)acetate--hydrogen chloride (1/1)
CID 24836989
Cyclohexaneacetic acid, alpha-cyclohexyl-1-hydroxy-4-methyl-, 2-(diethylamino)ethyl ester, hydrochloride
CID 24836991
Cyclohexaneacetic acid, alpha-(1-ethyl-1-hydroxypropyl)-, 2-(diethylamino)ethyl ester, hydrochloride
CID 24836993
2-(Diethylamino)ethyl 2-cyclohexyl-3-hydroxyhexanoate--hydrogen chloride (1/1)
CID 24836995
2-(Diethylamino)ethyl 2-cyclohexyl-3-hydroxy-3-methylbutanoate--hydrogen chloride (1/1)
CID 24837001
Cyclohexaneacetic acid, alpha-(1-hydroxy-1-methylpropyl)-, 2-(diethylamino)ethyl ester, hydrochloride
CID 24837003

Frequently Asked Questions

What is the IUPAC name of Rociverine?
The IUPAC name of Rociverine (CID 24892842) is trans-1-(diethylamino)propan-2-yl (1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for Rociverine?
The canonical SMILES for Rociverine is CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1.
What is the InChIKey of Rociverine?
The InChIKey is XPYLKZZOBVLVHB-QDKIRNHSSA-N. The full InChI is InChI=1S/C20H37NO3/c1-4-21(5-2)15-16(3)24-19(22)18-13-9-10-14-20(18,23)17-11-7-6-8-12-17/h16-18,23H,4-15H2,1-3H3/t16?,18-,20+/m1/s1.
What are the key properties of Rociverine?
Rociverine has a molecular weight of 339.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Rociverine is sourced from PubChem (CID 24892842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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